data_2k6b_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 2k6b _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 ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 CA-C-O 120.701 0.286 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -69.78 -34.99 74.51 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.02 -49.43 57.76 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.89 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -67.86 -27.99 67.16 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -68.31 -48.05 65.94 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.513 ' OE2' ' HD3' ' A' ' 10' ' ' ARG . 11.5 tp10 -65.86 -30.3 70.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.348 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.55 -36.38 71.56 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.742 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.92 -39.1 93.0 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 120.931 0.396 . . . . 0.0 111.597 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.513 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 66.6 ttt180 -70.88 -48.06 55.79 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.61 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -65.14 -29.54 70.38 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.52 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -60.95 -47.14 87.79 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -57.43 -36.34 71.26 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.013 0.435 . . . . 0.0 111.478 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--N 1.309 -1.172 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.221 -179.484 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.0 pt . . . . . 0 C--O 1.216 -0.669 0 CA-C-O 120.416 0.151 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.1 mt -67.1 -36.74 82.62 Favored 'General case' 0 C--O 1.212 -0.89 0 O-C-N 122.41 -0.181 . . . . 0.0 111.447 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.3 -21.88 59.53 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.981 0.419 . . . . 0.0 111.849 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -93.99 -29.99 14.95 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 120.815 0.34 . . . . 0.0 111.241 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.8 t -85.31 -45.98 17.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.163 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.1 mt -92.38 129.15 38.4 Favored 'General case' 0 C--N 1.28 -2.439 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 50' ' ' GLN . 12.1 t70 -80.54 -178.14 6.57 Favored 'General case' 0 C--N 1.28 -2.442 0 C-N-CA 117.867 -1.533 . . . . 0.0 109.451 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.425 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 28.4 mt-30 -56.26 -39.16 72.17 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 123.627 0.771 . . . . 0.0 112.217 -174.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 p -65.41 -42.69 92.3 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.302 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.7 -38.34 80.22 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.469 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.476 HH11 ' HG2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -63.62 -42.97 98.13 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.5 175.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.27 -39.29 89.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.35 0.595 . . . . 0.0 110.662 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -70.79 -37.64 73.32 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.796 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.5 tp -63.75 -40.41 96.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.003 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.2 m -60.76 -47.48 86.13 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.679 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -66.8 -29.34 69.26 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.446 0.641 . . . . 0.0 110.253 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.401 HD12 ' HG1' ' A' ' 67' ' ' THR . 0.8 OUTLIER -69.88 -39.93 76.01 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.13 -28.83 69.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.477 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.89 -43.59 71.48 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.118 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.7 m -77.13 -51.94 17.66 Favored 'Isoleucine or valine' 0 C--O 1.246 0.892 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HE3' ' HG2' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -155.37 94.33 2.6 Favored Pre-proline 0 C--O 1.246 0.899 0 CA-C-O 121.22 0.533 . . . . 0.0 111.51 179.044 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.506 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 23.9 Cg_endo -62.14 -17.24 55.47 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.132 2.554 . . . . 0.0 113.979 -176.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.32 -49.38 69.82 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.621 0.724 . . . . 0.0 109.821 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.436 ' HG2' ' HE3' ' A' ' 63' ' ' LYS . 25.5 mmmt -78.62 -28.78 45.64 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.981 -175.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.401 ' HG1' HD12 ' A' ' 59' ' ' LEU . 7.4 m -56.17 -46.41 79.36 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 28.8 mtpp -57.08 -39.57 75.23 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.372 0.669 . . . . 0.0 111.237 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.89 -45.63 64.0 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.933 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.22 -35.27 52.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.44 ' O ' HG13 ' A' ' 75' ' ' ILE . 51.7 mt-10 -59.52 -47.54 85.15 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 23.9 t-20 -60.67 -43.86 97.16 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.566 177.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -61.9 -45.37 94.02 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.433 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.67 -37.4 86.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.871 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 71' ' ' GLU . 77.5 mt -58.1 -40.33 76.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 56.6 mm-40 -65.99 -50.05 65.67 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.3 ttt -61.32 -38.09 85.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.453 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.004 176.428 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp . . . . . 0 N--CA 1.439 -0.997 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.3 t -79.11 116.64 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.894 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 171.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.8 p -80.65 174.06 11.99 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.236 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.413 ' O ' HG13 ' A' ' 93' ' ' ILE . 46.2 mt-10 -59.37 -46.12 89.53 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.395 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 94' ' ' GLU . 11.5 pt20 -60.58 -35.41 76.01 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 123.581 0.551 . . . . 0.0 110.598 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.69 -45.47 65.81 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.63 -39.9 89.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.541 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 93.6 mt -67.67 -37.4 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.928 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 61.7 mm-40 -62.3 -44.08 97.33 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.607 ' O ' HG21 ' A' ' 99' ' ' VAL . 82.5 mt -61.58 -51.06 77.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.542 176.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 41.6 tp -51.88 -39.05 58.36 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.106 0.962 . . . . 0.0 111.315 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 99.4 mttt -58.83 -48.33 81.72 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.632 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . 0.326 0.0 OUTLIER -74.88 -23.63 58.42 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 119.609 -0.836 . . . . 0.0 112.78 -176.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' ' 95' ' ' ILE . 2.9 t -93.82 -7.7 10.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.021 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.173 -176.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.5 p . . . . . 0 N--CA 1.476 0.854 0 C-N-CA 124.673 1.189 . . . . 0.0 114.114 -174.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.514 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -68.07 -34.51 76.57 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.402 -176.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -70.75 -49.87 42.17 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -56.97 -45.58 82.81 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.077 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.06 -54.13 47.01 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.087 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -65.74 -38.94 90.51 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.65 90.93 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.913 0.387 . . . . 0.0 110.598 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.22 -48.3 36.2 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.063 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -63.67 -40.26 96.39 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -175.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -64.89 -30.24 71.22 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.913 0.387 . . . . 0.0 111.734 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -74.67 -49.68 20.42 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -58.86 -34.81 72.02 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.802 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.131 178.865 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.454 HD11 ' H ' ' A' ' 43' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.35 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.5 mt -59.4 -42.45 91.77 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -173.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.17 -18.57 62.48 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 120.741 0.305 . . . . 0.0 111.6 -176.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -84.89 -26.63 27.18 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 120.723 0.297 . . . . 0.0 111.457 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.5 m -95.97 -41.68 11.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.512 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.3 mt -79.67 125.76 30.05 Favored 'General case' 0 CA--C 1.492 -1.265 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -76.98 179.93 5.91 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -48.52 -50.36 32.24 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -169.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 m -81.32 -22.19 38.69 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-O 121.138 0.494 . . . . 0.0 111.111 -173.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.35 -35.39 79.27 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.462 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -31.4 66.32 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 118.962 -1.095 . . . . 0.0 110.625 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.14 76.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' HD2' ' OE1' ' A' ' 89' ' ' GLU . 5.0 tpm_? -55.7 -46.42 77.66 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.311 1.044 . . . . 0.0 109.708 175.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.32 -47.05 85.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.235 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.7 t -63.33 -40.08 96.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.08 0.467 . . . . 0.0 109.985 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -64.35 -44.03 92.73 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -40.53 97.5 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.244 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.57 -33.7 73.09 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.866 0.866 . . . . 0.0 111.92 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.38 -44.59 58.25 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.739 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.3 m -75.22 -59.72 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -135.77 92.11 17.16 Favored Pre-proline 0 CA--C 1.51 -0.558 0 CA-C-N 118.673 0.67 . . . . 0.0 109.85 178.719 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.12 -13.02 35.3 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 123.299 2.666 . . . . 0.0 112.922 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.33 -38.58 81.66 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 121.387 0.613 . . . . 0.0 109.829 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -79.48 -30.48 42.06 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.619 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.448 ' HA ' HG22 ' A' ' 70' ' ' VAL . 1.9 m -62.25 -40.73 97.18 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -53.46 -45.66 69.63 Favored 'General case' 0 C--O 1.246 0.913 0 C-N-CA 124.209 1.004 . . . . 0.0 109.98 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.22 -51.12 33.29 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.565 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.448 HG22 ' HA ' ' A' ' 67' ' ' THR . 35.3 m -63.53 -39.61 85.96 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.584 ' O ' HG12 ' A' ' 75' ' ' ILE . 42.4 mt-10 -54.64 -53.1 59.15 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -56.8 -48.17 78.58 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.795 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -65.35 -42.16 93.1 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.298 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.22 -40.51 94.19 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 121.35 -0.14 . . . . 0.0 111.362 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.584 HG12 ' O ' ' A' ' 71' ' ' GLU . 44.5 mm -61.1 -45.76 97.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 177.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -62.59 -46.83 86.52 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.573 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 55.0 ttm -59.07 -46.18 88.92 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.65 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.756 179.585 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp . . . . . 0 N--CA 1.42 -1.934 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.3 t -83.11 111.2 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.136 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 172.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 p -93.84 -170.66 2.38 Favored 'General case' 0 C--N 1.283 -2.29 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.455 ' OE1' ' HD2' ' A' ' 55' ' ' ARG . 42.7 mt-10 -62.67 -37.28 85.78 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 174.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -61.21 -50.27 73.8 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.55 0.531 . . . . 0.0 109.675 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.18 -42.82 99.73 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.453 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.8 tp -67.86 -38.87 83.67 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 122.807 -0.231 . . . . 0.0 110.492 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.611 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 78.4 mt -65.3 -36.77 78.5 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 177.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 33.5 tp10 -62.52 -46.99 85.87 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' A' ' 98' ' ' LYS . 98.3 mt -63.99 -37.35 79.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.098 0.475 . . . . 0.0 110.298 176.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.56 -41.62 97.64 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.831 176.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' A' ' 93' ' ' ILE . 34.3 mmtp -61.68 -46.32 90.22 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 28.9 mtpp -54.73 -46.27 74.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.285 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.9 m -82.28 -19.03 10.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--N 1.315 -0.927 0 O-C-N 121.608 -0.683 . . . . 0.0 112.016 177.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.22 -36.76 85.16 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-O 121.497 0.665 . . . . 0.0 111.569 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -78.83 -52.45 8.32 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.049 -176.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.02 -28.85 70.38 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tt -57.88 -49.14 77.73 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -78.44 -40.37 35.96 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.063 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.42 -52.28 65.88 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.399 0.437 . . . . 0.0 111.644 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.36 -50.27 72.25 Favored 'General case' 0 CA--C 1.5 -0.97 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -63.65 -42.67 98.08 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 120.364 -0.535 . . . . 0.0 112.042 -175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -47.8 82.53 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -61.91 -47.61 84.16 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.523 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -56.2 -42.63 77.48 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.176 0.99 . . . . 0.0 111.214 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.436 -1.171 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.869 178.537 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.5 pt . . . . . 0 C--O 1.223 -0.299 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.03 -42.23 94.53 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.049 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.43 -18.93 64.54 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.513 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 71.8 mm-40 -97.32 -38.06 9.8 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 120.971 -0.291 . . . . 0.0 111.727 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.8 m -80.6 -25.45 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.513 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -106.29 130.46 54.13 Favored 'General case' 0 N--CA 1.416 -2.132 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.87 156.73 32.5 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -52.72 -36.45 57.5 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 123.84 0.856 . . . . 0.0 113.001 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.5 m -73.65 -29.67 62.47 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.289 0.566 . . . . 0.0 110.269 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.94 -35.42 62.14 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -60.05 -39.69 86.83 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.344 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.87 -44.32 70.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.098 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -56.44 -47.55 78.88 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.881 0.872 . . . . 0.0 109.91 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 tp -56.95 -47.09 81.5 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.09 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.445 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 49.0 m -62.11 -42.85 99.64 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.702 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -62.91 -38.34 90.6 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.141 0.496 . . . . 0.0 110.164 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.57 -39.3 91.51 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.24 -29.31 70.31 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.464 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 57' ' ' SER . 98.1 mt -77.38 -26.34 51.74 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.29 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 m -93.75 -45.46 13.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.765 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -161.3 102.34 1.23 Allowed Pre-proline 0 C--O 1.243 0.712 0 CA-C-O 121.51 0.672 . . . . 0.0 112.159 173.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.446 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 48.7 Cg_endo -67.06 -8.53 22.06 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.539 2.826 . . . . 0.0 114.078 -176.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -44.36 95.0 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -77.28 -29.2 53.73 Favored 'General case' 0 C--N 1.309 -1.163 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.817 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' HA ' ' A' ' 64' ' ' PRO . 7.1 m -61.28 -51.13 70.21 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.585 177.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -62.78 -31.16 72.07 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.665 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.64 -51.18 53.09 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.356 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.4 m -65.74 -39.16 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.892 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 75' ' ' ILE . 55.9 mt-10 -63.36 -51.84 64.22 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 121.289 -0.164 . . . . 0.0 110.65 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -55.65 -43.65 76.45 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 123.653 0.595 . . . . 0.0 110.145 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -60.26 -51.7 68.43 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.538 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.94 -42.61 99.31 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 71' ' ' GLU . 72.0 mt -52.93 -49.08 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-O 121.227 0.537 . . . . 0.0 110.296 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -73.9 -51.2 16.9 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.293 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.5 ttt -59.29 -39.94 84.58 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 123.368 0.667 . . . . 0.0 111.375 -174.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 120.567 0.222 . . . . 0.0 111.242 178.037 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 46.1 mtmt . . . . . 0 N--CA 1.43 -1.427 0 CA-C-O 120.962 0.41 . . . . 0.0 110.082 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.4 t -87.07 117.65 31.63 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.236 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -86.06 -179.8 6.83 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.514 ' O ' HG13 ' A' ' 93' ' ' ILE . 46.2 mt-10 -56.03 -48.53 75.8 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 118.301 0.5 . . . . 0.0 111.625 -178.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -59.43 -34.86 73.01 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.722 0.639 . . . . 0.0 111.297 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.64 -34.85 52.84 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.7 tp -74.03 -27.76 61.09 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 89' ' ' GLU . 97.4 mt -64.93 -31.45 53.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.3 -42.38 99.03 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 98' ' ' LYS . 29.5 mm -69.15 -39.64 79.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.617 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.2 tp -64.81 -42.17 95.21 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.208 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.85 -37.1 85.49 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.53 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' A' ' 95' ' ' ILE . 94.9 mttt -56.78 -58.18 9.25 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 121.466 0.651 . . . . 0.0 111.109 176.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.38 -21.05 19.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.037 -0.983 . . . . 0.0 113.133 -172.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.44 -0.937 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.683 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -65.15 -40.18 94.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.952 0.882 . . . . 0.0 110.028 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.8 -52.16 64.25 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 113.622 -1.626 . . . . 0.0 110.638 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 11.9 pt-20 -67.32 -39.4 85.85 Favored 'General case' 0 C--O 1.207 -1.182 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.508 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.85 -39.61 94.91 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 122.181 0.192 . . . . 0.0 111.207 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.94 -45.01 94.49 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.611 0.72 . . . . 0.0 109.347 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.78 90.93 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.731 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 78.7 mt -61.8 -43.53 98.67 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 123.235 0.614 . . . . 0.0 111.646 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -58.91 -43.47 91.08 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-O 121.108 0.48 . . . . 0.0 110.419 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -64.55 -41.51 96.28 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.724 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.85 -46.85 80.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.901 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.87 -38.75 70.54 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.464 0.706 . . . . 0.0 110.01 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 121.083 0.468 . . . . 0.0 110.833 179.006 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.431 ' O ' HG23 ' A' ' 47' ' ' VAL . 18.5 pt . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 120.532 0.206 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.412 HD13 HG13 ' A' ' 43' ' ' ILE . 5.7 mp -79.64 -31.08 41.52 Favored 'General case' 0 C--O 1.206 -1.204 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.885 176.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.48 -22.54 62.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -84.88 -34.02 22.69 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.328 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 43' ' ' ILE . 15.6 t -79.67 -41.23 21.84 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.519 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -101.65 120.32 40.14 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 120.725 0.298 . . . . 0.0 110.411 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.48 161.4 17.31 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 172.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -49.9 -32.64 15.07 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 123.929 0.892 . . . . 0.0 111.746 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.9 p -65.05 -47.29 77.9 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.102 0.477 . . . . 0.0 110.081 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.5 -35.52 75.61 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.043 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -62.23 -43.91 97.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.846 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.32 -40.18 81.75 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.11 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.522 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 6.4 tpt180 -64.38 -37.53 87.83 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.7 tp -58.25 -41.06 83.37 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 123.837 0.855 . . . . 0.0 110.063 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.448 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 24.8 t -66.37 -28.68 68.83 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.57 -46.96 80.49 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.79 -39.1 93.43 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.658 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.7 -22.91 67.09 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 122.959 0.504 . . . . 0.0 112.265 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 57' ' ' SER . 95.1 mt -91.83 -15.79 27.7 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 120.817 0.342 . . . . 0.0 110.654 -178.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 p -108.61 -47.38 7.43 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -141.1 85.62 12.01 Favored Pre-proline 0 C--O 1.245 0.831 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.92 -17.1 58.47 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.858 2.372 . . . . 0.0 113.397 -174.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -71.2 -38.4 72.08 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -74.62 -29.84 61.44 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 6.1 m -64.28 -44.85 90.39 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 174.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -63.21 -39.57 95.0 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.088 -177.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.56 -47.79 80.09 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.799 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -69.03 -36.26 72.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.673 0 C-N-CA 119.466 -0.893 . . . . 0.0 111.078 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.465 ' O ' HG13 ' A' ' 75' ' ' ILE . 40.0 mt-10 -54.25 -51.1 65.59 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 176.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.463 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 23.6 t-20 -56.78 -46.6 81.42 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.027 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -62.31 -48.87 77.97 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.399 -178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.411 HD11 HG12 ' A' ' 47' ' ' VAL . 2.8 mm? -63.39 -37.28 86.67 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 71' ' ' GLU . 78.7 mt -59.1 -44.68 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 CA-C-O 120.86 0.362 . . . . 0.0 110.165 177.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 12.2 mm100 -68.48 -43.68 76.42 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.465 0.65 . . . . 0.0 109.6 178.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.3 tpt -58.42 -46.13 87.07 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 125.495 1.518 . . . . 0.0 110.477 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.121 -179.478 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt . . . . . 0 N--CA 1.431 -1.394 0 CA-C-O 121.318 0.58 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.428 ' CG1' ' HA3' ' A' ' 91' ' ' GLY . 50.4 t -84.28 137.52 20.74 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.963 0 C-N-CA 124.239 1.016 . . . . 0.0 108.461 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.0 m -87.48 -170.58 3.09 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.135 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.614 ' O ' HG12 ' A' ' 93' ' ' ILE . 38.0 mt-10 -56.99 -48.07 79.3 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 123.346 0.658 . . . . 0.0 111.269 -175.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -57.39 -41.18 79.76 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 123.313 0.645 . . . . 0.0 112.287 -175.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.428 ' HA3' ' CG1' ' A' ' 87' ' ' VAL . . . -63.94 -38.41 96.03 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.215 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.3 tp -68.17 -35.68 78.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.614 HG12 ' O ' ' A' ' 89' ' ' GLU . 23.5 mm -62.58 -41.58 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.88 -36.38 84.16 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.602 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 77.7 mt -68.74 -36.14 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 45.0 tp -62.15 -38.76 90.25 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.772 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -58.66 -47.86 83.02 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -53.28 -52.07 60.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.987 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.1 m -74.44 -22.19 17.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.255 -175.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.437 -1.111 0 CA-C-O 121.326 0.584 . . . . 0.0 109.862 172.793 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.216 0 CA-C-O 120.995 0.426 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -70.81 -44.09 67.28 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.117 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -57.19 -42.54 81.39 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.659 0.784 . . . . 0.0 111.246 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.02 -49.98 45.95 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.122 0.487 . . . . 0.0 110.437 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.8 -43.88 94.23 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.555 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -65.7 -39.97 91.79 Favored 'General case' 0 C--O 1.183 -2.447 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.821 -177.616 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.27 96.02 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 120.984 0.421 . . . . 0.0 111.25 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.29 -53.21 31.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.412 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 40.8 ttt180 -58.07 -48.89 78.75 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 123.568 0.747 . . . . 0.0 111.158 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' GLU . 65.6 ttt180 -56.78 -47.58 79.84 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 125.3 1.44 . . . . 0.0 110.889 -178.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -64.8 -39.34 93.43 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.256 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -69.56 -32.75 71.72 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.791 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 10' ' ' ARG . 80.3 mt . . . . . 0 N--CA 1.425 -1.684 0 C-N-CA 123.163 0.585 . . . . 0.0 110.839 175.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.497 ' O ' HG23 ' A' ' 47' ' ' VAL . 20.3 pt . . . . . 0 C--O 1.202 -1.405 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.5 -33.81 74.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.726 -176.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.02 77.21 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.061 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -98.21 -19.74 17.68 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 43' ' ' ILE . 83.5 t -72.32 -41.75 65.58 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.958 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.507 HD12 HH11 ' A' ' 53' ' ' ARG . 87.8 mt -87.57 134.8 33.57 Favored 'General case' 0 N--CA 1.407 -2.591 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.72 147.01 50.95 Favored 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 172.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -47.93 -37.85 15.29 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.532 0.733 . . . . 0.0 112.486 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -65.55 -39.86 92.21 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 121.345 0.593 . . . . 0.0 109.794 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.39 -35.77 60.99 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.422 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.507 HH11 HD12 ' A' ' 48' ' ' LEU . 19.8 tpt180 -66.64 -40.7 88.82 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.81 -41.78 96.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.138 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -61.47 -39.38 90.7 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.534 0.734 . . . . 0.0 110.44 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.7 tp -73.0 -29.57 63.13 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.046 0.45 . . . . 0.0 111.261 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.0 m -67.49 -37.6 83.09 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 122.125 0.964 . . . . 0.0 109.244 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -65.45 -37.81 87.99 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.121 -1.4 . . . . 0.0 108.899 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -40.39 87.32 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.39 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.77 -28.47 70.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.12 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.67 -42.18 82.54 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.922 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.54 -48.78 17.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HE2' ' HG3' ' A' ' 66' ' ' LYS . 22.2 pttm -159.43 104.8 1.5 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 121.291 0.567 . . . . 0.0 112.506 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -71.05 -9.32 25.39 Favored 'Trans proline' 0 C--O 1.241 0.631 0 C-N-CA 123.668 2.912 . . . . 0.0 114.76 -174.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.61 -32.38 62.31 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 119.152 -1.019 . . . . 0.0 110.554 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HG3' ' HE2' ' A' ' 63' ' ' LYS . 25.8 mmmt -78.84 -29.89 44.9 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.3 m -60.95 -51.33 69.74 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.153 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -63.99 -30.53 71.6 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.823 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.89 -51.41 62.13 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 123.635 0.585 . . . . 0.0 110.405 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.3 m -69.66 -37.52 74.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.63 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.502 ' O ' HG13 ' A' ' 75' ' ' ILE . 42.0 mt-10 -60.77 -41.83 96.29 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.008 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -66.02 -36.34 83.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.671 0.748 . . . . 0.0 109.185 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -67.2 -44.21 80.14 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.617 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.75 -37.9 80.26 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 71' ' ' GLU . 63.5 mt -54.91 -44.67 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -75.64 -45.65 36.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.179 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 34.8 ttp -64.93 -40.73 95.48 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.376 -174.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.322 0 CA-C-O 121.127 0.489 . . . . 0.0 110.114 178.838 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.461 ' HZ1' ' HB2' ' A' ' 86' ' ' LYS . 9.9 mtmp? . . . . . 0 C--O 1.256 1.408 0 CA-C-O 120.897 0.379 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.42 116.2 5.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.8 m -78.32 176.67 9.1 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.146 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -51.32 -48.38 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 123.732 0.813 . . . . 0.0 111.486 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -62.97 -28.16 69.9 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.498 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -75.97 -40.14 31.13 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.4 tp -66.71 -47.28 72.86 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.429 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 88.5 mt -61.08 -30.9 48.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.752 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.18 -48.16 81.28 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.367 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 77.4 mt -69.45 -42.63 81.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.381 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.1 tp -54.28 -46.4 72.69 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.651 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.56 ' HZ2' ' HB2' ' A' ' 97' ' ' LYS . 10.1 mtmp? -60.24 -45.6 92.7 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . 0.314 0.0 OUTLIER -71.73 -29.48 64.58 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -179.306 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.6 m -82.75 -18.76 10.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.003 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.443 -0.811 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.5 179.886 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -62.56 -44.42 96.39 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.987 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -72.43 -37.06 68.69 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.598 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.12 -37.19 84.18 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.887 0.375 . . . . 0.0 110.973 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.58 -49.5 74.99 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.704 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 20.3 mm-40 -59.3 -52.99 63.28 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.095 176.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.61 -48.49 66.28 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.683 0.793 . . . . 0.0 112.149 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.26 -43.9 92.44 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.098 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.2 mtp85 -73.34 -42.79 61.86 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.159 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 99.2 mtt180 -61.55 -38.23 86.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.884 0.374 . . . . 0.0 110.567 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -58.95 -53.07 62.5 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.49 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.14 -39.48 92.72 Favored 'General case' 0 C--O 1.201 -1.48 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.705 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 C--N 1.317 -0.835 0 CA-C-O 121.236 0.541 . . . . 0.0 111.512 177.493 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.447 ' O ' HG23 ' A' ' 47' ' ' VAL . 29.7 pt . . . . . 0 N--CA 1.439 -0.995 0 CA-C-O 119.856 -0.116 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.93 -37.51 79.7 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.97 -19.51 60.07 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -97.39 -26.07 15.0 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.118 0.485 . . . . 0.0 111.289 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 43' ' ' ILE . 73.8 t -79.31 -44.94 24.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.972 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -91.04 124.38 35.23 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.24 152.89 42.57 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -48.28 -36.63 14.46 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 123.903 0.752 . . . . 0.0 110.878 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.7 p -63.44 -48.26 78.48 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-O 120.815 0.34 . . . . 0.0 110.821 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.56 -36.38 68.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.513 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -62.2 -46.85 87.08 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.39 85.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.904 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -59.51 -47.08 86.92 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.4 tp -68.96 -28.4 66.59 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.401 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 56.2 m -64.0 -42.92 97.01 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.057 0.456 . . . . 0.0 110.626 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -72.15 -39.02 69.06 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -56.8 -39.62 74.45 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.434 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.42 -22.34 63.28 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.915 0.886 . . . . 0.0 112.367 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.5 mt -94.99 -44.03 7.88 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.653 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.5 m -74.04 -42.66 52.36 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -143.99 82.53 10.93 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-O 121.415 0.626 . . . . 0.0 111.733 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -64.22 -20.14 66.65 Favored 'Trans proline' 0 C--O 1.241 0.661 0 C-N-CA 123.806 3.004 . . . . 0.0 113.737 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 1.4 tm-20 -69.34 -39.91 77.86 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -175.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -78.95 -29.98 44.32 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.001 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.2 m -60.83 -46.83 89.03 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.235 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 65.2 pttt -59.56 -37.66 79.04 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.528 -177.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.18 -49.2 52.8 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.373 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -65.77 -41.63 90.67 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 C-N-CA 120.341 -0.543 . . . . 0.0 112.435 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.45 -39.03 92.05 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.739 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -62.22 -42.64 99.49 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -60.86 -48.06 83.51 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.652 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.9 -37.22 86.08 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.535 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.2 mt -58.95 -47.3 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -62.8 -45.68 91.52 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.994 0.425 . . . . 0.0 111.114 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -66.48 -38.59 87.64 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.317 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.339 0 CA-C-O 121.096 0.474 . . . . 0.0 110.336 176.356 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.434 -1.261 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.89 125.94 36.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -87.2 178.69 6.81 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.594 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.681 ' O ' HG12 ' A' ' 93' ' ' ILE . 41.1 mt-10 -63.27 -49.45 74.02 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -176.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -60.78 -36.86 80.06 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.654 0.596 . . . . 0.0 110.66 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.44 -39.11 91.41 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.1 tp -67.48 -37.19 82.49 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.681 HG12 ' O ' ' A' ' 89' ' ' GLU . 28.0 mm -59.73 -42.09 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -62.33 -35.62 79.65 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.397 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 73.2 mt -72.64 -39.65 61.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 37.4 tp -59.25 -42.68 91.68 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.141 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.79 -38.32 90.21 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.322 0.582 . . . . 0.0 110.624 177.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -69.22 -38.15 78.41 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.817 -175.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.3 m -79.62 -14.04 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.387 0.613 . . . . 0.0 110.332 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.433 -1.281 0 CA-C-O 121.713 0.768 . . . . 0.0 109.224 174.654 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.64 -46.68 89.39 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.283 0.563 . . . . 0.0 110.973 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -67.05 -49.38 65.35 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.25 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -58.11 -35.86 72.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.5 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.8 -46.26 79.3 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 41.9 tt0 -71.26 -35.27 71.33 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.285 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.86 92.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.92 0.391 . . . . 0.0 110.087 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.01 -46.4 89.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.454 -0.794 . . . . 0.0 108.874 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -60.71 -44.27 96.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.953 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 86.2 mtt180 -60.8 -42.11 96.95 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.411 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -63.77 -50.22 69.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.65 0.594 . . . . 0.0 110.12 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -57.97 -40.85 81.66 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.688 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tm? . . . . . 0 C--N 1.321 -0.643 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.497 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.422 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.9 pt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.89 -53.74 29.13 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.011 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.33 -18.62 63.83 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -177.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -83.46 -38.86 21.3 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.623 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 43' ' ' ILE . 32.6 m -84.29 -37.06 12.51 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.113 0 C-N-CA 120.104 -0.639 . . . . 0.0 111.565 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.1 mt -78.17 129.78 35.55 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -67.07 156.74 35.33 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 174.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -48.89 -37.86 20.91 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 123.835 0.854 . . . . 0.0 111.368 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.8 m -74.4 -33.86 63.13 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.008 0.433 . . . . 0.0 110.212 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.97 -37.91 64.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.903 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -65.28 -41.73 93.86 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.73 91.83 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.592 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.536 ' O ' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -58.14 -39.34 78.53 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.085 0.554 . . . . 0.0 110.272 176.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.3 tp -71.84 -37.73 70.25 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.203 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.6 t -66.15 -26.59 67.5 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-O 121.978 0.894 . . . . 0.0 108.875 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.536 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 2.8 t-20 -69.14 -52.22 30.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.297 174.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.16 -31.03 69.72 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.089 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.42 -26.46 67.87 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.498 0.719 . . . . 0.0 112.07 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.8 mt -90.17 -19.49 24.18 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.438 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.1 m -97.1 -48.88 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.263 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.82 93.14 3.51 Favored Pre-proline 0 C--N 1.314 -0.959 0 CA-C-O 121.355 0.598 . . . . 0.0 110.597 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -67.19 -9.68 25.99 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.234 2.623 . . . . 0.0 113.566 -174.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -55.85 -51.2 68.36 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 176.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HD3' HG21 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -67.88 -35.12 77.96 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 113.156 -1.838 . . . . 0.0 109.932 -175.23 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 m -62.3 -51.14 68.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 123.52 0.513 . . . . 0.0 110.161 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -62.27 -42.11 99.05 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.094 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.07 69.49 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.805 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.2 m -67.73 -39.52 82.22 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.686 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.504 ' O ' HG13 ' A' ' 75' ' ' ILE . 54.5 mt-10 -64.96 -42.45 94.6 Favored 'General case' 0 C--O 1.21 -1.025 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.44 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -64.36 -39.63 94.26 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -64.31 -50.89 66.06 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.737 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.65 -37.6 84.65 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 71' ' ' GLU . 58.8 mt -53.29 -50.37 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 121.208 0.528 . . . . 0.0 109.703 175.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -72.23 -45.09 61.7 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.682 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.8 ttt -59.12 -43.22 91.93 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 123.842 0.857 . . . . 0.0 111.367 -176.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.683 179.261 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 N--CA 1.435 -1.223 0 CA-C-O 122.141 0.972 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -102.22 113.11 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.233 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.3 m -77.66 172.06 13.98 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.44 ' O ' HG13 ' A' ' 93' ' ' ILE . 50.8 mt-10 -53.32 -48.22 68.63 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 117.754 0.252 . . . . 0.0 111.233 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -58.09 -32.68 68.31 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.484 0.49 . . . . 0.0 111.709 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.25 -41.19 47.27 Favored Glycine 0 N--CA 1.438 -1.189 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.6 tp -71.55 -31.11 66.65 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 89' ' ' GLU . 89.8 mt -61.77 -32.06 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.241 0.543 . . . . 0.0 109.77 175.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.426 ' OE2' ' HD2' ' A' ' 97' ' ' LYS . 19.6 tp10 -69.0 -33.66 74.03 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.308 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.1 mm -74.72 -41.82 47.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.76 -44.35 96.85 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.284 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.426 ' HD2' ' OE2' ' A' ' 94' ' ' GLU . 17.0 ptpt -62.74 -34.11 76.52 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 63.1 mtpt -65.5 -52.17 54.7 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 123.536 0.522 . . . . 0.0 110.47 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.46 HG21 ' HD3' ' A' ' 66' ' ' LYS . 11.2 m -67.11 -18.22 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -176.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.539 0.685 . . . . 0.0 110.133 176.84 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.17 -28.83 57.48 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.967 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.0 -48.88 27.17 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 124.193 0.997 . . . . 0.0 110.723 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.94 -26.33 65.01 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.56 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.72 -38.29 89.89 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 173.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -70.23 -48.18 58.14 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.803 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.64 -39.75 71.29 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.762 0.664 . . . . 0.0 111.027 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.91 -35.71 79.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -71.39 -30.59 66.29 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 11.4 mpt_? -67.32 -37.5 83.42 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 173.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.28 -46.22 84.6 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -57.01 -37.21 71.39 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 3.4 tm? . . . . . 0 CA--C 1.538 0.488 0 C-N-CA 123.93 0.892 . . . . 0.0 110.617 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.8 pt . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.37 -32.48 72.4 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.162 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.05 -33.43 75.51 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.388 0.613 . . . . 0.0 110.684 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -71.14 -43.71 67.02 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.824 -178.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.42 HG13 HD12 ' A' ' 74' ' ' LEU . 21.9 t -83.16 -44.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.623 -175.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.83 130.96 42.61 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-O 121.954 0.883 . . . . 0.0 112.978 -173.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.76 155.78 22.06 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.439 170.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -50.78 -39.99 54.05 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 124.259 1.024 . . . . 0.0 110.694 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -67.88 -38.36 82.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.176 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.05 -35.46 74.27 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.792 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -73.92 -28.64 61.63 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.333 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.91 77.83 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 173.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -63.29 -42.6 99.1 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.714 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 tp -55.58 -47.88 75.73 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.175 0.99 . . . . 0.0 110.654 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m -59.11 -43.7 91.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.994 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -58.83 -43.92 90.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.317 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.12 -34.76 78.3 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.405 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.44 -29.81 70.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.227 0.537 . . . . 0.0 111.348 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.5 mt -83.22 -23.27 32.87 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.675 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.1 m -103.4 -40.98 6.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -150.68 84.03 5.63 Favored Pre-proline 0 C--O 1.245 0.822 0 CA-C-O 121.518 0.675 . . . . 0.0 111.77 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -57.84 -22.87 55.99 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 123.997 3.132 . . . . 0.0 112.827 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.36 -45.64 84.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.4 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.52 -29.93 46.79 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.68 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.1 m -62.49 -51.15 68.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -62.82 -33.02 74.35 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.894 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.87 -47.12 63.81 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.171 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.5 m -68.05 -38.93 80.63 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.825 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.957 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.566 ' O ' HG13 ' A' ' 75' ' ' ILE . 52.0 mt-10 -55.82 -51.06 68.79 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -56.04 -44.12 78.5 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 123.69 0.619 . . . . 0.0 110.308 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -65.34 -47.71 75.53 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.885 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.42 HD12 HG13 ' A' ' 47' ' ' VAL . 3.9 mm? -64.81 -37.43 87.59 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 71' ' ' GLU . 75.9 mt -54.93 -46.18 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -74.59 -37.96 62.76 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.574 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.07 -41.53 88.19 Favored 'General case' 0 C--O 1.249 1.068 0 C-N-CA 124.102 0.961 . . . . 0.0 109.488 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.344 176.471 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? . . . . . 0 C--O 1.241 0.629 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.76 138.84 20.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 175.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.2 m -85.04 -176.2 6.09 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.062 0.458 . . . . 0.0 111.956 -176.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -56.17 -42.99 77.95 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.544 ' O ' ' HG2' ' A' ' 94' ' ' GLU . 90.0 mt-30 -56.76 -43.33 80.68 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 123.376 0.422 . . . . 0.0 112.009 -176.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.63 -40.37 98.54 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.18 -41.54 94.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.716 0.293 . . . . 0.0 110.229 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.8 mt -63.27 -31.09 51.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-O 121.15 0.5 . . . . 0.0 110.516 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 21.0 mm-40 -68.8 -45.73 70.5 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.3 mt -62.66 -37.14 78.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.321 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 48.5 tp -58.33 -37.86 75.98 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.444 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -63.39 -44.68 94.01 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -58.98 -51.36 70.41 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.066 -1.424 . . . . 0.0 110.212 -175.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.5 m -74.71 -20.02 16.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 N--CA 1.439 -0.978 0 CA-C-O 120.786 0.326 . . . . 0.0 111.473 176.743 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.493 0 CA-C-O 121.282 0.563 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.28 -41.03 64.08 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.412 -174.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -59.37 -45.86 90.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.753 0.658 . . . . 0.0 111.29 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -64.49 -40.2 95.22 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 120.968 0.413 . . . . 0.0 110.086 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.7 tp -64.18 -45.42 88.45 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.962 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -75.27 -33.66 61.28 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.868 -179.342 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.56 91.18 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 174.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.57 -44.78 93.19 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.327 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.59 -44.66 89.95 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.157 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 65.8 mtt180 -57.3 -47.63 81.0 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.3 -42.36 93.14 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.975 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.414 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -64.54 -37.68 88.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.166 -0.334 . . . . 0.0 111.646 175.104 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.3 tp . . . . . 0 C--N 1.32 -0.698 0 CA-C-O 120.927 0.394 . . . . 0.0 109.974 178.282 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.4 pt . . . . . 0 N--CA 1.436 -1.164 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 94.6 mt -67.5 -27.39 66.96 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -176.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.48 -31.42 32.93 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.99 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -87.87 -44.33 11.15 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.048 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.93 -45.08 77.91 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.524 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 85.2 mt -91.13 126.81 36.33 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.769 178.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 16.1 t70 -61.23 153.07 27.22 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 173.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 28.7 tt0 -54.94 -32.29 61.19 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 123.349 0.66 . . . . 0.0 111.675 -178.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 m -78.43 -27.2 46.48 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.34 -35.59 71.23 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.625 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.438 ' HD3' ' O ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -71.67 -26.9 62.71 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.81 176.482 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.91 75.16 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -62.7 -40.54 97.47 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.906 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.88 -43.13 94.91 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 123.783 0.833 . . . . 0.0 110.484 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m -63.24 -43.69 97.32 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.07 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -62.79 -37.44 86.69 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.031 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -33.74 76.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.66 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.32 -22.78 67.09 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.673 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.5 mp -79.6 -32.47 41.88 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.022 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -87.92 -58.41 3.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -146.5 100.78 4.06 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 117.87 0.305 . . . . 0.0 110.537 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.4 -20.51 66.37 Favored 'Trans proline' 0 N--CA 1.48 0.729 0 C-N-CA 123.133 2.556 . . . . 0.0 112.507 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.75 -45.13 95.24 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 121.727 0.775 . . . . 0.0 109.06 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.83 -29.77 61.16 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.546 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -62.12 -51.62 67.15 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -66.24 -31.05 71.63 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.39 -49.8 65.61 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.73 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.12 -38.68 82.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.371 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 75' ' ' ILE . 52.0 mt-10 -59.62 -49.83 76.24 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.557 0.217 . . . . 0.0 110.672 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -57.33 -43.81 83.68 Favored 'General case' 0 C--O 1.25 1.092 0 C-N-CA 124.305 1.042 . . . . 0.0 109.606 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -62.26 -50.19 72.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.987 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.4 -40.83 97.78 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 71' ' ' GLU . 78.1 mt -57.72 -43.08 83.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.327 0.584 . . . . 0.0 109.826 177.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -51.01 27.68 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.298 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -36.83 83.34 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.196 178.247 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 N--CA 1.443 -0.784 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.47 119.91 39.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 104.94 -2.244 . . . . 0.0 104.94 168.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -83.42 178.85 7.85 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.708 -176.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -57.62 -40.33 78.92 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 122.577 0.351 . . . . 0.0 110.995 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -57.71 -34.54 69.58 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.461 0.704 . . . . 0.0 110.818 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -75.59 -45.14 18.8 Favored Glycine 0 N--CA 1.437 -1.26 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.64 -38.14 86.59 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.574 -0.313 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.499 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 89.5 mt -62.41 -36.1 73.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.94 178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 38.9 tt0 -68.88 -41.61 78.1 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.765 177.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 85.1 mt -62.87 -37.29 78.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.67 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.21 -41.53 93.22 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.391 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 95.4 mttt -58.79 -47.26 85.38 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 56.9 mtpt -60.82 -44.07 97.38 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.672 -177.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.3 m -77.92 -22.81 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 N--CA 1.441 -0.908 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 175.667 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.23 -42.12 84.54 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.432 0.634 . . . . 0.0 110.45 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.88 -43.85 91.6 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.669 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.78 -35.25 76.81 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.591 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.5 tp -62.37 -48.54 79.31 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -60.2 -35.32 75.13 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.056 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.99 -48.38 65.95 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.403 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.01 -43.72 98.24 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -57.11 -40.03 76.26 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.29 1.036 . . . . 0.0 111.379 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -80.7 -34.53 34.54 Favored 'General case' 0 C--N 1.312 -1.027 0 O-C-N 122.238 -0.289 . . . . 0.0 111.667 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -57.36 -44.02 83.99 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 124.178 0.991 . . . . 0.0 112.163 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -34.17 77.23 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.03 -0.668 . . . . 0.0 111.023 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 N--CA 1.435 -1.208 0 CA-C-O 121.181 0.515 . . . . 0.0 111.228 175.514 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.8 pt . . . . . 0 N--CA 1.448 -0.535 0 CA-C-O 120.73 0.3 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.08 -44.74 94.57 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.369 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.2 -18.44 65.31 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.8 -25.88 16.46 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.4 m -94.94 -32.74 4.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.15 0.5 . . . . 0.0 111.42 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -91.25 129.36 37.25 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.84 156.74 19.86 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 172.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -55.48 -34.53 64.66 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 122.768 0.427 . . . . 0.0 110.736 -177.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.9 p -65.36 -46.71 79.07 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.335 0.588 . . . . 0.0 110.589 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.06 -38.84 75.89 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.662 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -64.67 -42.22 95.51 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.54 79.47 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.05 175.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -58.39 -39.93 81.0 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.762 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.2 tp -69.39 -29.19 66.89 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 121.138 0.494 . . . . 0.0 110.949 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.4 m -68.27 -38.83 82.14 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 175.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.64 -36.93 85.44 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.416 173.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.82 -35.08 78.73 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.566 176.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.78 -23.14 67.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.538 0.685 . . . . 0.0 111.03 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.8 mt -85.41 -14.37 46.46 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.097 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.2 m -113.63 -49.42 5.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -139.77 88.5 12.15 Favored Pre-proline 0 C--O 1.251 1.138 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.82 -35.93 64.89 Favored 'Trans proline' 0 CA--C 1.518 -0.306 0 C-N-CA 122.676 2.251 . . . . 0.0 111.549 -177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.9 -49.13 69.27 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.833 0.708 . . . . 0.0 110.804 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -76.02 -29.53 58.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.503 -176.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.4 m -60.87 -51.23 70.19 Favored 'General case' 0 C--O 1.224 -0.269 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -60.95 -36.37 79.18 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.565 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.38 -48.71 71.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.582 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -68.8 -37.72 77.81 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.891 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.535 ' O ' HG13 ' A' ' 75' ' ' ILE . 64.9 mt-10 -60.48 -46.21 90.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -58.26 -40.47 81.93 Favored 'General case' 0 C--O 1.245 0.866 0 C-N-CA 124.199 1.0 . . . . 0.0 109.611 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -65.28 -48.01 74.69 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.237 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.56 -38.11 88.78 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 71' ' ' GLU . 91.1 mt -57.06 -41.13 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 121.15 0.5 . . . . 0.0 110.299 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -75.44 -51.89 12.0 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.267 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.5 tpp -63.46 -32.13 73.48 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -174.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.71 0 CA-C-O 120.8 0.333 . . . . 0.0 110.949 177.672 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm . . . . . 0 N--CA 1.416 -2.129 0 CA-C-O 121.033 0.444 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.0 t -93.9 117.24 37.04 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.178 0 N-CA-C 106.541 -1.652 . . . . 0.0 106.541 172.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.6 m -89.99 -173.82 4.01 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 93' ' ' ILE . 38.6 mt-10 -59.24 -44.04 92.36 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 122.795 0.438 . . . . 0.0 112.05 -173.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 94' ' ' GLU . 10.3 tt0 -61.4 -45.17 95.48 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 123.249 0.343 . . . . 0.0 110.761 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.73 -38.65 96.5 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.12 -44.39 96.75 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 89' ' ' GLU . 91.1 mt -64.17 -34.76 70.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.202 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 37.9 mm-40 -62.34 -49.94 73.6 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.77 -38.35 82.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.432 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.51 -41.81 86.25 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 123.264 0.625 . . . . 0.0 110.485 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -68.52 -41.47 79.88 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.526 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -60.71 -40.8 93.65 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.031 0.532 . . . . 0.0 112.181 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.4 m -76.72 -18.39 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 121.229 0.538 . . . . 0.0 111.378 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 N--CA 1.436 -1.165 0 CA-C-O 121.22 0.533 . . . . 0.0 109.807 176.55 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.088 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -78.09 -40.27 38.89 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.105 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.12 -42.07 94.28 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.82 -176.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -72.98 -27.48 61.84 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.389 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.63 -52.95 54.72 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.63 -43.68 76.39 Favored 'General case' 0 C--O 1.222 -0.365 0 O-C-N 123.718 0.636 . . . . 0.0 111.296 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.66 -56.61 18.34 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.625 0.578 . . . . 0.0 111.189 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.5 tp -63.65 -41.26 98.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.769 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -56.07 -47.95 76.99 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 124.006 0.923 . . . . 0.0 109.855 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -74.77 -34.6 62.49 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.13 -45.03 83.87 Favored 'General case' 0 C--O 1.237 0.424 0 O-C-N 123.516 0.51 . . . . 0.0 110.58 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -79.39 -46.32 17.82 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.024 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 N--CA 1.467 0.387 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -175.217 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.3 pt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.304 0.097 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.69 -41.11 98.94 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.468 176.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.65 -22.23 64.41 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -87.42 -32.14 19.7 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.355 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.6 m -88.81 -35.78 8.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.732 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.7 mt -101.34 125.96 48.04 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -78.36 -175.36 4.19 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.468 -0.893 . . . . 0.0 108.84 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -55.55 -40.76 72.32 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -169.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 m -79.72 -31.09 41.12 Favored 'General case' 0 C--O 1.213 -0.826 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.383 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.8 -35.31 72.48 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -65.04 -42.67 94.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.911 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.11 91.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.352 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.563 ' HD3' ' OE1' ' A' ' 89' ' ' GLU . 9.5 tpt180 -64.67 -36.35 83.98 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.881 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.438 HD12 HD12 ' A' ' 59' ' ' LEU . 53.0 tp -63.81 -45.23 90.57 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.797 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.2 m -62.83 -42.75 99.86 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.547 0.689 . . . . 0.0 110.116 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -56.05 -47.01 78.7 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.692 176.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.438 HD12 HD12 ' A' ' 56' ' ' LEU . 4.5 pp -74.74 -33.01 62.27 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 121.208 0.528 . . . . 0.0 111.706 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.509 ' HA ' ' OG1' ' A' ' 67' ' ' THR . . . -59.66 -39.0 82.99 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.769 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.3 tp -72.09 -26.58 62.21 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.74 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.0 m -93.23 -46.48 13.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 120.182 -0.607 . . . . 0.0 112.303 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -141.01 87.88 10.62 Favored Pre-proline 0 C--O 1.244 0.807 0 O-C-N 122.145 -0.347 . . . . 0.0 110.119 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.422 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 36.9 Cg_endo -67.14 -10.96 30.44 Favored 'Trans proline' 0 C--O 1.245 0.835 0 C-N-CA 122.692 2.262 . . . . 0.0 112.769 -178.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -66.37 -45.79 78.91 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -77.96 -28.9 49.56 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.226 -177.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.509 ' OG1' ' HA ' ' A' ' 60' ' ' ALA . 2.4 m -59.09 -41.54 88.29 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.989 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 54.9 mtmt -57.72 -46.18 84.77 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.035 178.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.27 -47.38 82.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.826 0.704 . . . . 0.0 111.965 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.77 -43.6 93.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.843 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.43 ' O ' HG13 ' A' ' 75' ' ' ILE . 63.6 mt-10 -61.65 -46.06 91.38 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.85 -40.25 75.76 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.159 0.984 . . . . 0.0 110.728 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -74.09 -45.07 51.49 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.106 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.02 -43.38 95.31 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 71' ' ' GLU . 74.5 mt -56.48 -46.79 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 123.361 0.413 . . . . 0.0 110.559 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -64.49 -51.15 64.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.0 ttp -64.02 -36.57 84.43 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.031 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.39 0 CA-C-O 120.92 0.39 . . . . 0.0 110.193 175.428 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.428 -1.567 0 CA-C-O 121.186 0.517 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.6 t -99.5 132.52 44.8 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 175.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.3 m -89.56 178.02 6.4 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.563 ' OE1' ' HD3' ' A' ' 55' ' ' ARG . 44.7 mt-10 -57.17 -48.4 78.82 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.572 0.349 . . . . 0.0 111.476 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -61.33 -34.29 75.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.362 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.15 -40.19 88.15 Favored Glycine 0 N--CA 1.451 -0.317 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.0 tp -66.9 -37.88 85.22 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 99.1 mt -67.19 -33.23 61.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.52 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -42.05 99.59 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.0 -42.26 82.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.046 175.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.4 tp -55.63 -38.54 69.64 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.704 0.802 . . . . 0.0 110.73 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -59.55 -53.77 54.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.541 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? -69.67 -29.85 67.38 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -175.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 32.2 m -76.39 -21.51 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.189 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.435 -1.183 0 CA-C-O 121.618 0.723 . . . . 0.0 109.308 176.046 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.466 0.372 0 CA-C-O 121.469 0.652 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -78.42 -32.16 48.49 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.84 0.828 . . . . 0.0 108.855 176.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.47 -34.25 75.61 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.047 -176.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 14.1 pt-20 -64.17 -34.82 78.95 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.4 -47.43 73.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -56.73 -55.45 34.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.242 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.95 93.26 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.966 -177.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.8 tp -67.85 -41.99 82.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.497 -177.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 ttp-105 -60.25 -43.57 95.99 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -62.98 -37.96 89.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.013 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -68.09 -52.24 37.31 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.247 0.546 . . . . 0.0 110.136 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -64.67 -25.14 67.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.724 -177.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.8 tp . . . . . 0 C--N 1.321 -0.652 0 C-N-CA 122.95 0.5 . . . . 0.0 110.032 176.258 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.409 ' O ' HG11 ' A' ' 47' ' ' VAL . 28.6 pt . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 111.029 0.011 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.18 -43.44 82.19 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 121.285 -0.166 . . . . 0.0 110.706 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.64 -24.51 67.61 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -96.46 -35.63 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.063 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.409 HG11 ' O ' ' A' ' 43' ' ' ILE . 10.8 p -75.33 -30.83 23.07 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.007 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.633 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.8 mt -106.46 126.24 52.0 Favored 'General case' 0 N--CA 1.421 -1.883 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 177.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -66.15 161.63 21.51 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 173.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -48.36 -37.08 15.85 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 124.151 0.98 . . . . 0.0 110.767 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.566 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 22.8 p -66.83 -48.28 69.39 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.058 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.11 -35.7 78.57 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.387 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -59.58 -40.2 86.61 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.514 0.326 . . . . 0.0 110.445 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.47 92.43 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.198 0.523 . . . . 0.0 110.211 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HD3' ' O ' ' A' ' 51' ' ' SER . 5.8 mpt_? -67.34 -39.49 85.81 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.926 178.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.25 -38.02 89.54 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.079 0.466 . . . . 0.0 109.885 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.7 t -66.62 -45.34 79.42 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.634 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -57.46 -51.41 69.56 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.679 0.392 . . . . 0.0 110.87 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.2 -32.6 72.37 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.351 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.2 -33.24 74.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.184 0.516 . . . . 0.0 110.978 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.63 -30.06 56.71 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.115 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 m -89.51 -59.29 2.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 C-N-CA 120.406 -0.518 . . . . 0.0 112.184 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -141.78 97.26 6.58 Favored Pre-proline 0 C--N 1.321 -0.649 0 O-C-N 121.982 -0.449 . . . . 0.0 111.154 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.434 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 18.5 Cg_exo -64.76 -10.38 24.66 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 123.122 2.548 . . . . 0.0 111.221 177.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -51.93 -56.32 14.85 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 126.141 1.776 . . . . 0.0 108.828 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 66' ' ' LYS . 42.5 mmtm -79.02 -29.88 43.87 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.757 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.434 ' OG1' ' HA ' ' A' ' 64' ' ' PRO . 4.3 m -57.62 -47.91 80.89 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.173 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 49.3 mtmt -61.63 -31.68 71.78 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.054 0.454 . . . . 0.0 110.904 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.33 -50.49 38.67 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.239 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.1 m -67.15 -39.15 82.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.942 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -56.4 -48.53 76.73 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 117.798 0.272 . . . . 0.0 110.557 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.26 -41.65 76.16 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.438 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -67.78 -48.15 67.15 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.862 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.27 -38.47 87.88 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.73 -43.68 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.46 -45.36 76.21 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.217 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.3 ttt -59.49 -42.8 92.94 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 121.222 0.534 . . . . 0.0 110.732 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.529 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.187 179.146 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? . . . . . 0 N--CA 1.409 -2.484 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.2 t -69.18 126.19 28.7 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.335 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.4 p -78.45 176.7 9.13 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.766 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 93' ' ' ILE . 43.5 mt-10 -59.85 -48.41 81.79 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 174.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 19.8 mp0 -60.13 -45.06 94.31 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.093 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.32 -41.24 99.75 Favored Glycine 0 N--CA 1.45 -0.43 0 O-C-N 123.694 0.621 . . . . 0.0 112.509 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.7 tp -65.91 -37.81 87.07 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-O 120.907 0.384 . . . . 0.0 110.013 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 89' ' ' GLU . 98.1 mt -66.32 -29.67 47.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.379 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 36.8 mt-10 -68.7 -36.58 78.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.368 0.604 . . . . 0.0 110.009 174.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 72.4 mt -70.92 -35.88 61.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.709 0.766 . . . . 0.0 109.157 176.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.8 tp -64.28 -43.35 95.07 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.929 178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -69.4 -34.75 74.96 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.03 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 95' ' ' ILE . 21.3 ptmt -68.78 -36.9 78.87 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 119.991 -0.684 . . . . 0.0 110.506 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.7 m -82.6 -18.94 10.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.914 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 N--CA 1.452 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.826 176.172 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.49 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.3 -38.98 92.96 Favored 'General case' 0 C--N 1.316 -0.849 0 O-C-N 123.63 0.581 . . . . 0.0 111.867 -176.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.07 -46.97 72.7 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.253 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.34 -34.78 78.74 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.379 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.85 -43.49 75.34 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 35.4 tt0 -62.09 -40.3 95.4 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.02 88.32 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.7 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.97 -45.67 80.87 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -59.39 -47.71 84.41 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.686 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 61.4 mtt-85 -57.43 -41.23 80.03 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.913 0.485 . . . . 0.0 110.917 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.98 -37.77 66.92 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.031 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.509 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -70.33 -36.27 74.15 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.285 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.6 mt . . . . . 0 CA--C 1.502 -0.885 0 C-N-CA 123.233 0.613 . . . . 0.0 111.61 177.325 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.438 ' O ' HG22 ' A' ' 47' ' ' VAL . 26.9 pt . . . . . 0 CA--C 1.528 0.108 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.48 -38.74 92.3 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 120.983 0.42 . . . . 0.0 110.517 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.89 -18.75 62.66 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.917 0.389 . . . . 0.0 111.798 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.577 HE21 ' HA ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -95.04 -34.23 12.4 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.661 -179.166 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 43' ' ' ILE . 34.9 m -96.27 -10.62 8.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.1 mt -112.6 129.98 56.19 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 121.352 0.596 . . . . 0.0 110.95 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.16 155.39 38.44 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 174.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -54.1 -31.64 52.54 Favored 'General case' 0 C--N 1.307 -1.275 0 C-N-CA 123.294 0.638 . . . . 0.0 111.541 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.412 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 30.6 p -64.59 -46.26 83.46 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.472 0.654 . . . . 0.0 110.205 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.49 81.09 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.541 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -69.46 -31.18 69.31 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.003 0.43 . . . . 0.0 111.323 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.22 -45.78 65.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 173.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.488 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -56.8 -44.35 81.86 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.375 0.67 . . . . 0.0 110.022 176.505 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.61 -42.23 87.7 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 124.767 1.227 . . . . 0.0 110.668 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 t -66.5 -41.64 88.6 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.928 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -66.1 -28.95 69.21 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.317 0.579 . . . . 0.0 110.954 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -34.59 69.31 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 123.726 0.81 . . . . 0.0 109.51 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.05 65.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.132 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.53 -16.58 60.82 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.0 m -101.88 -53.72 7.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 119.689 -0.805 . . . . 0.0 112.512 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -151.05 101.7 3.01 Favored Pre-proline 0 CA--C 1.508 -0.647 0 C-N-CA 123.024 0.53 . . . . 0.0 110.006 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -60.75 -22.79 74.59 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.178 2.585 . . . . 0.0 111.889 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -34.16 77.2 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.849 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -80.01 -30.39 39.58 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 119.466 -0.893 . . . . 0.0 109.231 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m -59.99 -51.17 70.79 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.548 0.739 . . . . 0.0 109.929 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -64.83 -30.83 71.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.089 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.13 -43.49 70.86 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.875 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.09 -40.53 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.996 177.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.494 ' O ' HG13 ' A' ' 75' ' ' ILE . 48.2 mt-10 -56.79 -45.41 82.19 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 176.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -58.66 -41.69 86.66 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 123.58 0.752 . . . . 0.0 110.929 178.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -65.36 -43.97 89.13 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.838 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.45 -37.34 85.53 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.244 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 71' ' ' GLU . 81.0 mt -54.49 -50.26 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 174.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.63 -47.44 81.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.639 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.4 ttt -61.29 -41.87 97.69 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 123.572 0.749 . . . . 0.0 110.613 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.355 177.168 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.522 ' HD2' ' N ' ' A' ' 86' ' ' LYS . 10.1 mptt . . . . . 0 N--CA 1.409 -2.487 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.2 t -80.26 136.23 23.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.9 m -92.26 -173.84 3.55 Favored 'General case' 0 C--O 1.249 1.045 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.458 ' O ' HG13 ' A' ' 93' ' ' ILE . 30.3 mt-10 -57.43 -48.12 79.97 Favored 'General case' 0 C--O 1.213 -0.841 0 C-N-CA 123.121 0.569 . . . . 0.0 111.537 -175.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -57.66 -41.87 82.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.515 0.509 . . . . 0.0 112.261 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.09 -39.74 88.56 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.2 tp -65.35 -36.23 83.37 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 120.836 0.35 . . . . 0.0 110.329 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 89' ' ' GLU . 90.2 mt -62.37 -37.07 77.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.574 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.92 -36.47 83.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.415 0.626 . . . . 0.0 109.706 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 83.1 mt -66.71 -38.87 82.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.574 176.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.6 -41.37 98.93 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.203 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.452 ' HE2' ' HA ' ' A' ' 97' ' ' LYS . 8.1 mmpt? -63.73 -44.78 92.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.891 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -71.31 -21.41 62.07 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.76 -2.99 9.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 C-N-CA 119.448 -0.901 . . . . 0.0 112.369 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.444 -0.727 0 O-C-N 123.329 0.393 . . . . 0.0 110.984 175.643 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.682 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -70.79 -40.66 72.44 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.691 0.758 . . . . 0.0 108.987 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -67.46 -35.87 80.05 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.435 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -63.6 -40.62 97.4 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 123.294 0.638 . . . . 0.0 109.357 176.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.3 -43.68 93.97 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.647 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -58.15 -47.14 84.26 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.8 92.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.752 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.6 tp -62.34 -42.47 99.41 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.337 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -60.46 -41.61 94.48 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 124.731 1.212 . . . . 0.0 110.577 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -78.22 -29.89 48.55 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.21 -42.2 93.7 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 173.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.415 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.56 -37.31 72.91 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.812 0.845 . . . . 0.0 108.995 176.637 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.822 178.137 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.1 pt . . . . . 0 C--O 1.216 -0.703 0 CA-C-O 120.735 0.302 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.1 mt -59.86 -40.27 88.04 Favored 'General case' 0 C--O 1.2 -1.527 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.53 -26.04 67.71 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -96.38 -19.26 19.34 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 121.468 0.652 . . . . 0.0 111.364 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.6 t -93.85 -44.66 13.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.268 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.3 mt -90.67 131.78 36.16 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.52 160.23 19.87 Favored 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 171.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -58.56 -34.09 70.65 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 122.421 0.288 . . . . 0.0 111.264 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 m -67.7 -34.21 76.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.91 69.62 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.464 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -44.76 96.29 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 120.822 0.344 . . . . 0.0 111.072 176.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.11 97.69 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.775 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -63.99 -41.3 97.55 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.66 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -49.12 78.47 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.453 1.101 . . . . 0.0 108.367 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.2 t -64.27 -29.82 70.9 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.161 -178.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -63.5 -40.68 97.72 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.729 0.299 . . . . 0.0 110.454 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.38 -32.19 66.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.348 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.54 78.19 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.623 0.725 . . . . 0.0 110.547 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.58 -24.01 62.69 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.97 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.2 m -97.7 -51.66 10.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 119.496 -0.882 . . . . 0.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -148.63 108.25 3.54 Favored Pre-proline 0 N--CA 1.466 0.357 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.95 -20.54 44.79 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.73 2.287 . . . . 0.0 112.003 -175.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.63 -35.64 78.48 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.857 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -79.99 -30.19 39.65 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.829 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 m -62.85 -51.99 64.88 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.357 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -60.58 -30.9 70.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.351 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.5 -49.05 62.56 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.473 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.57 -40.17 87.28 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 C-N-CA 119.834 -0.746 . . . . 0.0 111.458 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.416 ' O ' HG13 ' A' ' 75' ' ' ILE . 41.8 mt-10 -52.94 -50.44 64.02 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.969 0.507 . . . . 0.0 110.615 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -62.48 -41.7 98.97 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.676 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -64.98 -36.98 86.13 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.284 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.75 -37.01 86.14 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.808 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 71' ' ' GLU . 64.8 mt -56.37 -48.18 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 175.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -62.21 -43.94 97.7 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.95 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.4 tpt -59.1 -45.4 90.96 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 122.896 0.478 . . . . 0.0 110.149 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 121.523 0.678 . . . . 0.0 110.561 177.322 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.423 -1.801 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.7 t -80.88 114.9 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.111 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 172.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 p -80.07 -179.72 7.17 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.607 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.442 ' O ' HG13 ' A' ' 93' ' ' ILE . 44.5 mt-10 -64.22 -44.77 90.86 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.408 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -61.33 -35.07 76.38 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.936 0.398 . . . . 0.0 110.703 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.3 -41.19 79.63 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.8 tp -66.33 -37.9 86.42 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.694 -0.253 . . . . 0.0 110.591 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 89' ' ' GLU . 97.8 mt -63.64 -35.47 72.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 122.532 0.333 . . . . 0.0 110.162 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.33 -43.95 96.3 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.96 -41.07 91.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.046 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 43.8 tp -62.27 -42.2 99.14 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.302 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.432 ' HZ1' ' HB3' ' A' ' 97' ' ' LYS . 3.3 mmmp? -62.44 -32.61 73.5 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 122.671 0.388 . . . . 0.0 111.49 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.68 -56.22 11.59 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.65 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.1 m -75.64 -17.71 15.67 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.568 -175.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.439 -0.976 0 C-N-CA 123.828 0.851 . . . . 0.0 110.713 175.696 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.457 0 CA-C-O 120.739 0.304 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -73.31 -28.98 62.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.301 0.572 . . . . 0.0 109.767 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.04 -48.34 74.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.836 176.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 48.0 mt-10 -59.77 -38.96 83.27 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.58 -45.16 94.19 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.921 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -68.43 -35.61 77.87 Favored 'General case' 0 C--O 1.2 -1.524 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.994 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -49.9 75.91 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 90.9 mt -57.04 -48.41 78.59 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 121.566 0.698 . . . . 0.0 109.607 175.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -57.59 -49.79 75.25 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 124.663 1.185 . . . . 0.0 111.539 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -64.47 -43.63 93.58 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 123.996 0.918 . . . . 0.0 112.188 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -66.8 -45.09 79.5 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -59.35 -41.39 89.09 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.751 0.42 . . . . 0.0 110.498 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.1 tp . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.623 178.716 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.3 pt . . . . . 0 C--O 1.221 -0.416 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.03 -40.3 87.19 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 122.357 -0.214 . . . . 0.0 110.752 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.24 -18.82 65.59 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 176.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -93.23 -46.39 7.42 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.971 -0.456 . . . . 0.0 111.397 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.9 t -71.92 -43.04 68.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.0 mt -92.57 131.57 37.58 Favored 'General case' 0 N--CA 1.415 -2.213 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.71 152.67 18.3 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.844 172.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -53.98 -31.37 50.61 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 123.655 0.782 . . . . 0.0 112.116 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -75.15 -34.69 61.64 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.84 -38.14 76.42 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -64.09 -43.04 96.6 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.073 176.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.5 -42.3 95.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.666 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.491 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 6.5 tpt180 -60.92 -46.52 90.33 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.2 tp -68.04 -30.07 69.21 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.461 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.2 t -64.42 -29.77 70.82 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.677 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -71.01 -39.95 72.07 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.08 -31.94 71.6 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.318 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.56 -21.93 66.65 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-O 121.295 0.569 . . . . 0.0 111.739 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.53 -35.43 22.88 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.129 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.54 -51.79 12.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.424 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -146.77 86.83 6.53 Favored Pre-proline 0 C--O 1.248 1.013 0 C-N-CA 122.464 0.306 . . . . 0.0 110.255 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -59.79 -17.93 45.96 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.537 2.158 . . . . 0.0 112.17 178.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.86 -44.16 77.81 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -78.41 -29.36 47.15 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.736 -175.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.416 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 7.5 m -59.57 -50.22 74.73 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -53.93 -46.32 71.47 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.45 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.13 -46.16 74.93 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.998 -176.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.7 m -67.57 -40.65 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 119.316 -0.953 . . . . 0.0 110.638 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.597 ' O ' HG13 ' A' ' 75' ' ' ILE . 56.2 mt-10 -63.78 -39.82 95.18 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -57.89 -44.38 86.67 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.387 1.075 . . . . 0.0 110.464 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -66.97 -43.43 83.1 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.253 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.08 -37.41 87.33 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 71' ' ' GLU . 91.7 mt -54.85 -45.05 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -67.62 -50.85 56.1 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.024 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.449 ' HA ' ' HE1' ' A' ' 77' ' ' MET . 8.5 mmt -59.42 -36.14 75.33 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-O 120.907 0.384 . . . . 0.0 111.973 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.45 177.308 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.517 ' HD2' ' N ' ' A' ' 86' ' ' LYS . 10.6 mptt . . . . . 0 N--CA 1.42 -1.974 0 CA-C-O 121.601 0.715 . . . . 0.0 111.905 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.2 t -84.47 118.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.6 p -81.29 178.95 8.07 Favored 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.405 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.491 ' OE2' ' HD3' ' A' ' 55' ' ' ARG . 30.8 mt-10 -57.74 -46.06 84.99 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 123.104 0.562 . . . . 0.0 110.657 179.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -62.06 -27.5 68.94 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.3 -42.48 11.85 Favored Glycine 0 N--CA 1.434 -1.451 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 35.1 tp -68.56 -33.87 74.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.663 0.268 . . . . 0.0 111.106 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.452 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 90.5 mt -60.03 -33.73 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.084 0.469 . . . . 0.0 110.533 176.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -68.22 -35.52 78.08 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.5 mm -69.29 -40.3 80.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.6 tp -59.22 -42.04 90.06 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.099 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 97' ' ' LYS . 11.2 mmpt? -66.35 -35.73 81.09 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.493 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -66.79 -43.65 83.36 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.627 0.727 . . . . 0.0 109.503 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.7 m -80.29 -14.23 13.0 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.843 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.3 m . . . . . 0 N--CA 1.438 -1.041 0 CA-C-O 121.019 0.438 . . . . 0.0 109.987 173.07 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 120.668 0.27 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.27 -56.49 21.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.542 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.15 -47.08 84.22 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.441 -176.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -67.85 -26.94 66.29 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.0 tp -77.17 -49.6 14.83 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -59.68 -47.22 86.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.467 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.82 87.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.864 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.54 -40.77 76.66 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -65.56 -45.16 84.39 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.974 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -62.83 -29.0 70.4 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -62.84 -42.77 99.87 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -41.3 89.99 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 CA--C 1.555 1.151 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.252 179.368 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.7 pt . . . . . 0 C--O 1.24 0.587 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.35 -43.22 88.24 Favored 'General case' 0 C--O 1.206 -1.233 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.849 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.56 -21.07 66.14 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -89.08 -34.2 16.85 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.667 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.8 m -89.24 -31.56 5.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.1 mt -87.17 127.98 35.14 Favored 'General case' 0 CA--C 1.485 -1.528 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 15.1 t70 -76.89 175.65 9.29 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 174.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -48.33 -49.78 32.87 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 125.166 1.387 . . . . 0.0 113.971 -171.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.3 m -71.77 -42.2 67.44 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.273 -174.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.62 93.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.279 0.561 . . . . 0.0 110.23 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -62.92 -44.33 96.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.133 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.95 -36.91 83.28 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.828 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.434 ' O ' ' HB3' ' A' ' 58' ' ' ASN . 6.6 tpt180 -60.99 -51.56 68.75 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -176.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -69.85 -27.86 65.2 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 119.195 -1.002 . . . . 0.0 111.317 -177.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.8 m -60.18 -40.95 91.78 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.434 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 2.8 t-20 -61.01 -42.55 98.67 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.607 173.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.58 -35.92 66.31 Favored 'General case' 0 C--O 1.208 -1.103 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.07 -24.09 66.89 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.026 0.441 . . . . 0.0 112.151 -178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mp -99.46 -8.85 24.12 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -115.73 -43.42 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -143.33 81.84 12.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -65.92 -20.64 57.89 Favored 'Trans proline' 0 C--O 1.242 0.697 0 C-N-CA 123.043 2.495 . . . . 0.0 112.788 -173.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.5 -39.81 94.48 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.497 ' HE3' ' HA ' ' A' ' 100' ' ' SER . 69.3 mmtt -73.65 -28.63 61.88 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.104 -176.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 5.3 m -57.06 -51.51 68.99 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -64.14 -33.66 76.28 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.678 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.72 -51.47 59.06 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.511 0.507 . . . . 0.0 110.428 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.57 -37.77 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.99 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.55 ' O ' HG13 ' A' ' 75' ' ' ILE . 54.9 mt-10 -56.23 -46.82 79.41 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -65.02 -46.25 82.12 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.315 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -59.41 -41.37 89.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.811 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.5 -38.24 86.82 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.749 176.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 71' ' ' GLU . 79.4 mt -58.5 -47.91 86.93 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 175.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -60.13 -43.51 95.61 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.923 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.3 tpt -58.94 -43.93 91.31 Favored 'General case' 0 C--O 1.249 1.049 0 C-N-CA 123.381 0.672 . . . . 0.0 109.556 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.732 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.053 176.311 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 32.4 mmtp . . . . . 0 C--O 1.244 0.801 0 CA-C-O 121.316 0.579 . . . . 0.0 112.518 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -83.0 117.5 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.347 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 173.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 m -76.18 171.79 13.91 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.784 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.54 -38.15 88.79 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -175.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -68.31 -24.62 64.86 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.305 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.39 -39.88 61.02 Favored Glycine 0 N--CA 1.44 -1.07 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.1 tp -66.43 -38.68 87.96 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.95 -36.77 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.884 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -61.44 -44.83 96.43 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.7 -48.41 84.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.826 176.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.476 ' HA ' HG21 ' A' ' 99' ' ' VAL . 26.7 tp -58.63 -39.27 80.03 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 124.659 1.184 . . . . 0.0 112.839 -175.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.01 -42.84 99.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.896 0.379 . . . . 0.0 111.751 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -71.45 -46.49 59.83 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.742 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.476 HG21 ' HA ' ' A' ' 96' ' ' LEU . 26.7 m -62.7 -23.83 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.955 177.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.497 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 8.7 t . . . . . 0 CA--C 1.543 0.673 0 CA-C-O 121.295 0.569 . . . . 0.0 109.991 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.169 0.509 . . . . 0.0 112.21 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -78.74 -42.12 29.01 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.351 0.596 . . . . 0.0 109.673 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -55.87 -51.61 66.96 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 125.556 1.542 . . . . 0.0 111.693 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.94 -37.55 85.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.054 0.454 . . . . 0.0 110.999 -177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.4 tp -73.39 -40.91 63.96 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.981 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.32 -44.35 88.11 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.979 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.28 85.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.299 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.15 -52.83 63.9 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.24 176.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -60.25 -51.33 70.0 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.774 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -60.75 -41.16 94.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.613 -0.722 . . . . 0.0 112.035 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -67.28 -44.11 80.11 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 120.523 -0.471 . . . . 0.0 109.913 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 tpt85 -65.69 -29.34 69.87 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.888 -178.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 C--O 1.24 0.564 0 C-N-CA 123.316 0.646 . . . . 0.0 109.794 176.427 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.9 pt . . . . . 0 N--CA 1.444 -0.732 0 CA-C-O 120.672 0.272 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.94 -44.41 85.15 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 121.02 0.438 . . . . 0.0 110.654 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.91 -29.06 70.49 Favored 'General case' 0 C--N 1.307 -1.256 0 C-N-CA 123.933 0.893 . . . . 0.0 112.851 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -89.75 -26.54 20.57 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.587 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.7 m -88.97 -27.64 5.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.309 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.9 mt -100.72 124.26 46.08 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.437 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 32.5 t70 -65.31 160.5 21.58 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 171.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -48.22 -37.08 15.09 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 124.249 1.02 . . . . 0.0 111.247 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.7 p -67.22 -51.02 58.35 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.727 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.4 -35.26 78.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.722 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.496 ' NH1' HD22 ' A' ' 56' ' ' LEU . 17.5 tpt85 -62.26 -44.91 95.46 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.29 90.52 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.279 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -59.34 -35.59 74.14 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 123.552 0.741 . . . . 0.0 111.304 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.496 HD22 ' NH1' ' A' ' 53' ' ' ARG . 50.7 tp -63.2 -41.24 99.13 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.914 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -65.34 -35.82 82.14 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -60.45 -49.17 78.62 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.945 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.441 HD11 HD12 ' A' ' 56' ' ' LEU . 4.4 pp -71.93 -37.12 70.09 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.411 0.444 . . . . 0.0 111.981 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.61 ' HA ' ' OG1' ' A' ' 67' ' ' THR . . . -54.81 -28.12 47.04 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 124.158 0.983 . . . . 0.0 112.953 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.12 -13.46 30.69 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -115.42 -26.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.318 -0.553 . . . . 0.0 112.414 -177.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -144.56 73.71 15.42 Favored Pre-proline 0 C--N 1.308 -1.224 0 CA-C-O 121.85 0.833 . . . . 0.0 110.274 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -69.99 -23.51 29.64 Favored 'Trans proline' 0 C--O 1.244 0.82 0 C-N-CA 123.373 2.715 . . . . 0.0 113.882 -172.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -74.03 -34.72 64.21 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -78.34 -28.83 47.35 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.576 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.61 ' OG1' ' HA ' ' A' ' 60' ' ' ALA . 10.6 m -60.46 -43.81 96.53 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -57.33 -41.79 80.66 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.268 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.82 -46.58 71.46 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 123.863 0.727 . . . . 0.0 111.354 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.97 -43.33 89.26 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.091 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.768 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.51 ' O ' HG13 ' A' ' 75' ' ' ILE . 54.6 mt-10 -59.15 -48.12 82.77 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.548 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 26.8 t-20 -58.18 -43.59 87.6 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.733 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -62.49 -40.25 96.11 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.51 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.87 -41.82 91.13 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.825 175.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 71' ' ' GLU . 76.1 mt -55.63 -46.13 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 121.41 0.624 . . . . 0.0 110.517 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 21.2 pt20 -75.52 -44.63 42.62 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.9 ttp -67.43 -36.3 80.95 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.348 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 179.08 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 48.0 mmtm . . . . . 0 N--CA 1.43 -1.466 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 p -89.99 150.43 3.73 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 176.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 m -87.36 163.58 16.71 Favored 'General case' 0 C--N 1.289 -2.027 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -58.63 -45.44 89.25 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 120.951 0.405 . . . . 0.0 110.183 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -68.93 -18.65 64.13 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.34 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -78.77 -39.05 22.14 Favored Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 176.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.5 tp -70.07 -40.09 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.554 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 89.6 mt -63.08 -34.03 64.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.567 177.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.95 -35.92 81.75 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 78.6 mt -70.21 -45.63 75.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.371 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 36.6 tp -57.21 -31.47 65.52 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.426 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 88.7 mttt -65.3 -53.94 36.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.643 177.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -68.65 -35.14 76.87 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -176.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.0 m -62.07 -14.0 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.437 -1.102 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.844 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.872 0 CA-C-O 120.895 0.379 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -67.77 -32.34 72.86 Favored 'General case' 0 C--O 1.201 -1.463 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.775 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.92 -47.29 75.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.514 0.673 . . . . 0.0 109.411 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -68.22 -36.59 79.75 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.313 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.54 -32.21 69.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.266 0.555 . . . . 0.0 110.133 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -70.89 -38.21 73.02 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.65 70.99 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.229 0.537 . . . . 0.0 110.172 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.68 -41.19 92.71 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.176 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -69.87 -35.79 74.96 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.879 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -65.63 -31.32 72.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.289 175.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -65.2 -44.62 87.78 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 173.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -64.33 -30.07 71.13 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.075 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt . . . . . 0 C--N 1.308 -1.199 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 176.005 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.2 pt . . . . . 0 C--O 1.208 -1.089 0 N-CA-C 111.395 0.146 . . . . 0.0 111.395 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.25 -27.43 69.34 Favored 'General case' 0 C--O 1.203 -1.391 0 C-N-CA 122.531 0.332 . . . . 0.0 111.676 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.88 -29.55 67.87 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 120.898 0.38 . . . . 0.0 110.959 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -96.56 -24.7 15.92 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.475 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.5 t -89.54 -42.68 14.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.301 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -101.56 129.55 47.68 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.14 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -59.95 157.07 13.28 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.978 174.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -50.13 -35.77 27.18 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 124.402 1.081 . . . . 0.0 112.18 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.7 m -73.76 -37.3 65.08 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.454 0.645 . . . . 0.0 109.848 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.33 70.41 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.744 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -59.61 -37.87 79.74 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.019 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.11 92.65 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.522 0.677 . . . . 0.0 110.283 178.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -64.93 -47.63 77.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.692 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.28 -43.03 82.75 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.298 0.639 . . . . 0.0 110.605 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.5 m -63.28 -41.03 98.96 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.769 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -64.68 -42.97 94.98 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.568 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.31 -35.09 73.17 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.927 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.9 -21.8 63.7 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 123.621 0.768 . . . . 0.0 112.795 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.1 mp -91.86 -28.12 17.51 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -94.1 -52.76 9.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -175.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -136.56 81.5 35.69 Favored Pre-proline 0 C--O 1.247 0.923 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.96 -27.75 85.61 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.36 2.707 . . . . 0.0 112.654 -175.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -62.97 -39.33 94.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.022 0.439 . . . . 0.0 110.597 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -78.47 -29.6 46.93 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.186 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.4 m -63.23 -45.96 89.14 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -57.87 -47.18 83.48 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.805 0.842 . . . . 0.0 109.203 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.62 88.87 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.944 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.2 -41.53 75.23 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 CA-C-O 118.948 -0.549 . . . . 0.0 111.815 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.551 ' O ' HG13 ' A' ' 75' ' ' ILE . 47.0 mt-10 -53.32 -51.47 62.26 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.072 0.463 . . . . 0.0 109.835 176.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -58.95 -36.04 74.13 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.033 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -69.37 -44.07 72.3 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.34 -37.18 86.29 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.096 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 71' ' ' GLU . 68.7 mt -56.05 -46.28 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 CA-C-O 121.854 0.835 . . . . 0.0 108.792 174.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.25 -41.82 96.8 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.46 -1.246 . . . . 0.0 110.244 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.0 ttt -68.65 -39.2 80.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.216 0.532 . . . . 0.0 110.653 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.454 0 C-N-CA 123.807 0.843 . . . . 0.0 111.092 179.052 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 N--CA 1.418 -2.057 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.87 132.02 33.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.2 m -86.19 179.57 6.91 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.674 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -55.01 -48.1 73.82 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.767 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -55.44 -48.78 73.92 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 124.358 1.036 . . . . 0.0 110.771 -176.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.91 -42.63 96.82 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.422 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.6 tp -63.69 -43.6 96.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 110.214 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.83 -34.46 70.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.599 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.65 -38.61 89.84 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.5 175.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.5 mt -66.73 -37.28 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.09 -48.44 80.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.752 176.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.04 -43.67 91.69 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.153 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.94 -49.24 78.48 Favored 'General case' 0 N--CA 1.432 -1.33 0 C-N-CA 123.213 0.605 . . . . 0.0 111.669 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.89 -18.86 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.308 -1.232 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 175.304 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -68.79 -25.99 64.98 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.474 0.654 . . . . 0.0 111.106 -177.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -69.17 -47.72 64.17 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.353 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.79 -32.61 69.77 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.914 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.86 -39.97 96.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.836 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -59.92 -47.13 87.03 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.416 ' HA ' ' HD2' ' A' ' 11' ' ' ARG . . . -59.99 -40.13 88.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.885 -179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.62 -34.06 60.54 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -68.41 -31.11 70.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.274 0.559 . . . . 0.0 109.788 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 97.0 mtt180 -62.1 -37.93 86.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.81 174.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -67.28 -39.52 86.05 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -60.93 -39.37 89.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.126 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.319 -0.728 0 C-N-CA 123.849 0.86 . . . . 0.0 110.35 179.583 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.2 pt . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 120.642 0.258 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.49 -36.16 79.7 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.051 0.453 . . . . 0.0 110.355 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.11 -18.49 61.29 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.323 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 25.6 mm-40 -86.16 -37.02 19.15 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 120.918 0.389 . . . . 0.0 110.261 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.2 p -83.64 -32.94 9.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.806 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.0 mt -104.35 126.01 51.08 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.791 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -61.02 160.37 10.02 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.138 175.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -47.95 -38.96 17.89 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 124.541 1.137 . . . . 0.0 111.126 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.6 m -72.48 -36.08 68.34 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.292 0.568 . . . . 0.0 110.201 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.65 -36.37 65.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.987 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -62.3 -39.11 91.91 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.952 0.406 . . . . 0.0 110.106 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.88 -35.32 79.76 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.982 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.471 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 12.5 tpt180 -67.75 -36.73 81.07 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.997 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.37 -49.56 74.1 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.84 0.456 . . . . 0.0 111.274 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.8 t -64.02 -38.19 90.16 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.484 0.49 . . . . 0.0 109.855 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -58.01 -50.69 72.55 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.827 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.11 -37.07 84.82 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.86 -23.75 67.46 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 122.775 0.43 . . . . 0.0 112.127 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.78 -9.06 29.62 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 120.894 0.378 . . . . 0.0 111.323 -177.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.7 p -115.46 -44.6 3.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 C-N-CA 120.275 -0.57 . . . . 0.0 112.242 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -143.64 81.34 12.18 Favored Pre-proline 0 C--O 1.24 0.567 0 C-N-CA 122.3 0.24 . . . . 0.0 110.36 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.68 -23.76 76.89 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.822 2.348 . . . . 0.0 113.305 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -62.35 -38.82 90.99 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.731 0.3 . . . . 0.0 111.0 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.403 ' NZ ' ' HA ' ' A' ' 100' ' ' SER . 25.9 mmmt -79.34 -31.78 43.12 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.258 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -62.35 -49.47 75.46 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.914 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -61.79 -32.81 73.12 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.854 0.359 . . . . 0.0 110.717 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.24 76.37 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.134 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.01 -41.42 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.961 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.454 ' O ' HG13 ' A' ' 75' ' ' ILE . 48.8 mt-10 -58.44 -43.65 88.85 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.382 0.134 . . . . 0.0 110.702 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -54.81 -40.43 69.52 Favored 'General case' 0 C--O 1.239 0.553 0 C-N-CA 123.698 0.799 . . . . 0.0 110.473 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -74.08 -51.99 14.04 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.933 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.32 -37.09 76.89 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 71' ' ' GLU . 68.2 mt -53.6 -50.48 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 123.166 0.291 . . . . 0.0 110.544 176.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -72.87 -41.3 64.85 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.677 -178.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.9 ttt -59.64 -41.81 91.36 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 122.987 0.515 . . . . 0.0 111.18 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.694 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.521 177.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 57.1 mtmt . . . . . 0 N--CA 1.426 -1.637 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.3 t -77.68 132.02 33.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.3 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.1 m -90.54 -170.82 2.85 Favored 'General case' 0 C--O 1.25 1.126 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.494 ' O ' HG13 ' A' ' 93' ' ' ILE . 51.3 mt-10 -58.45 -47.37 84.22 Favored 'General case' 0 C--O 1.199 -1.571 0 C-N-CA 122.75 0.42 . . . . 0.0 112.095 -175.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -61.02 -35.27 76.42 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-O 121.002 0.43 . . . . 0.0 111.597 -176.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.489 ' O ' HG12 ' A' ' 95' ' ' ILE . . . -69.97 -42.43 68.78 Favored Glycine 0 N--CA 1.434 -1.444 0 N-CA-C 110.251 -1.139 . . . . 0.0 110.251 176.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.5 tp -66.73 -38.24 86.27 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 122.509 0.324 . . . . 0.0 111.329 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.521 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 80.2 mt -59.54 -36.61 65.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.71 -35.22 74.87 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.225 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 91' ' ' GLY . 28.7 mm -63.35 -42.28 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 174.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.2 tp -62.29 -34.31 76.34 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.869 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 93' ' ' ILE . 32.4 mmmt -63.35 -48.49 77.75 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 176.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -59.03 -46.94 86.95 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.749 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.8 m -73.36 -22.69 19.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.915 0.388 . . . . 0.0 112.033 -178.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 66' ' ' LYS . 66.5 m . . . . . 0 N--CA 1.438 -1.066 0 O-C-N 122.054 -0.404 . . . . 0.0 111.578 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.533 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.48 -34.2 60.87 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.14 -34.97 75.85 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.487 175.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -61.61 -44.04 97.74 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.787 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.0 tp -66.49 -42.61 87.18 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 123.496 0.498 . . . . 0.0 109.765 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 14.2 tp10 -57.47 -55.59 32.86 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.838 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.03 99.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.273 -177.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.466 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 6.7 tt -61.01 -52.59 64.36 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 123.677 0.611 . . . . 0.0 109.678 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.89 -43.48 95.89 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.283 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 79.1 mtp180 -64.54 -44.97 89.13 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.421 0.153 . . . . 0.0 111.281 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -63.24 -51.96 64.09 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.25 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -57.2 -38.19 73.31 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.456 0.473 . . . . 0.0 111.647 178.291 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 C--N 1.331 -0.219 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -179.777 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.4 pt . . . . . 0 C--O 1.211 -0.967 0 CA-C-O 120.791 0.329 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.5 mt -75.48 -34.26 60.87 Favored 'General case' 0 C--O 1.206 -1.195 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.163 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.9 -26.76 40.11 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -177.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -83.03 -26.96 30.68 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.098 0.475 . . . . 0.0 109.919 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.2 t -92.12 -45.69 14.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.03 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.6 mt -89.8 129.55 36.18 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -61.93 162.7 8.68 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -53.52 -36.45 61.78 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 123.608 0.763 . . . . 0.0 110.03 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 m -68.02 -40.77 82.86 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.613 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.28 -35.72 68.8 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.24 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -61.77 -40.37 94.95 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.763 0.316 . . . . 0.0 110.194 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.97 -47.22 69.18 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.661 177.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -57.12 -44.42 83.29 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 122.775 0.43 . . . . 0.0 110.731 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.3 -42.37 99.3 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.2 m -63.02 -38.76 92.48 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.566 0.698 . . . . 0.0 110.85 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -72.35 -32.04 66.13 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.573 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -68.82 -36.48 78.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.443 ' HA ' ' OG1' ' A' ' 67' ' ' THR . . . -58.51 -25.5 62.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.838 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.7 mt -81.75 -38.72 25.25 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.685 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -75.14 -38.74 42.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.625 -0.43 . . . . 0.0 112.096 -177.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -169.67 104.68 0.46 Allowed Pre-proline 0 C--O 1.243 0.717 0 C-N-CA 122.812 0.445 . . . . 0.0 111.227 173.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.427 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 49.1 Cg_endo -68.85 -10.16 28.34 Favored 'Trans proline' 0 CA--C 1.534 0.496 0 C-N-CA 123.041 2.494 . . . . 0.0 113.436 -175.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.05 -41.1 87.07 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.187 0.517 . . . . 0.0 110.097 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -78.8 -29.22 44.76 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.532 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.443 ' OG1' ' HA ' ' A' ' 60' ' ' ALA . 6.6 m -59.74 -50.9 72.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.187 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -64.6 -30.73 71.76 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.766 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.83 79.54 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.411 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.0 m -71.89 -42.42 69.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.874 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 75' ' ' ILE . 47.3 mt-10 -56.27 -52.27 65.11 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.664 0.269 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -61.47 -36.17 79.69 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.188 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.01 -48.11 77.62 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.728 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.31 -37.78 88.6 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.609 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 71' ' ' GLU . 78.1 mt -55.79 -49.37 75.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 O-C-N 123.372 0.42 . . . . 0.0 110.018 175.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.29 -50.06 71.6 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.8 mmt -63.51 -32.04 73.38 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -177.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 N--CA 1.433 -1.307 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.8 t -97.98 114.16 34.57 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.62 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 173.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.532 ' HB2' ' OE1' ' A' ' 90' ' ' GLN . 13.5 m -82.79 -178.68 7.19 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.59 -42.96 99.61 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 118.489 0.586 . . . . 0.0 111.713 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.532 ' OE1' ' HB2' ' A' ' 88' ' ' SER . 0.0 OUTLIER -61.15 -24.15 66.08 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 177.419 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -84.21 -32.91 21.84 Favored Glycine 0 N--CA 1.437 -1.291 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 56.5 tp -71.49 -41.86 68.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.18 -33.18 57.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.655 177.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.58 -47.75 82.47 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.909 178.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.415 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 66.8 mt -71.15 -35.6 59.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.975 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.08 -52.6 65.05 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.145 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -63.47 -32.29 73.69 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.222 0.534 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 95' ' ' ILE . 41.2 ttmt -63.37 -50.62 69.2 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.452 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.8 m -79.34 -23.27 12.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.443 -0.796 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.247 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.784 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.1 m 59.74 20.94 9.7 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.873 1.269 . . . . 0.0 112.583 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.37 -38.82 68.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.626 -175.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -69.78 -34.99 74.51 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.02 -49.43 57.76 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.89 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -67.86 -27.99 67.16 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -68.31 -48.05 65.94 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.513 ' OE2' ' HD3' ' A' ' 10' ' ' ARG . 11.5 tp10 -65.86 -30.3 70.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.348 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.55 -36.38 71.56 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.742 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.92 -39.1 93.0 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 120.931 0.396 . . . . 0.0 111.597 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.513 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 66.6 ttt180 -70.88 -48.06 55.79 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.61 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -65.14 -29.54 70.38 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.52 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 28.6 tt0 -60.95 -47.14 87.79 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 6.2 mpt_? -57.43 -36.34 71.26 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.013 0.435 . . . . 0.0 111.478 176.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -72.6 -47.8 44.93 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.221 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.76 -45.45 51.8 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.686 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 19.4 mm-40 -70.41 -23.52 62.76 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.746 -176.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 1.8 tm? -57.15 -48.6 78.3 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 177.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 64.64 89.24 0.09 Allowed 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.519 -177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.95 108.15 5.05 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.623 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.95 166.17 11.91 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 173.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -101.65 -5.1 25.46 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.016 0.436 . . . . 0.0 111.149 175.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.16 -40.2 2.56 Favored Glycine 0 CA--C 1.491 -1.454 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.929 172.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -110.14 150.29 41.28 Favored Pre-proline 0 C--N 1.288 -2.078 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -101.02 31.15 0.1 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 122.963 2.442 . . . . 0.0 111.61 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.23 -161.23 9.07 Favored Glycine 0 N--CA 1.427 -1.927 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.832 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.7 t70 48.78 -90.91 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.813 1.645 . . . . 0.0 113.294 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.41 -30.95 70.85 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 120.688 0.28 . . . . 0.0 110.693 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.64 -28.24 63.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.841 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -73.4 -43.9 59.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.45 0.643 . . . . 0.0 109.335 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -67.77 -38.55 83.54 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.967 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 34.9 tt0 -58.7 -50.84 72.39 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.929 176.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.47 -46.19 80.52 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.075 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -65.99 -37.69 86.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.397 0.618 . . . . 0.0 110.417 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -63.54 -40.79 97.91 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.903 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 40.1 mtp180 -66.43 -31.01 71.5 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.837 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.5 -45.96 90.62 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.44 0.638 . . . . 0.0 109.723 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.18 -40.76 67.68 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.507 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -56.31 -45.26 80.36 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 123.767 0.827 . . . . 0.0 111.323 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -65.33 -37.88 88.41 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.291 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 83.3 mtt85 -74.71 -42.42 58.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.273 0.559 . . . . 0.0 110.269 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -64.8 -44.44 89.92 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 123.759 0.824 . . . . 0.0 111.501 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.477 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 30.5 p -61.93 -47.11 86.4 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.0 pt -64.69 -40.06 87.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.685 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 92.1 mt -67.1 -36.74 82.62 Favored 'General case' 0 C--O 1.212 -0.89 0 O-C-N 122.41 -0.181 . . . . 0.0 111.447 178.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.3 -21.88 59.53 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.981 0.419 . . . . 0.0 111.849 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 42' ' ' SER . 90.4 mt-30 -93.99 -29.99 14.95 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 120.815 0.34 . . . . 0.0 111.241 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.42 ' CG1' ' HG ' ' A' ' 83' ' ' LEU . 30.8 t -85.31 -45.98 17.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.163 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.1 mt -92.38 129.15 38.4 Favored 'General case' 0 C--N 1.28 -2.439 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 176.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 50' ' ' GLN . 12.1 t70 -80.54 -178.14 6.57 Favored 'General case' 0 C--N 1.28 -2.442 0 C-N-CA 117.867 -1.533 . . . . 0.0 109.451 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.425 ' H ' ' CG ' ' A' ' 49' ' ' ASP . 28.4 mt-30 -56.26 -39.16 72.17 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 123.627 0.771 . . . . 0.0 112.217 -174.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 p -65.41 -42.69 92.3 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.302 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.7 -38.34 80.22 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.469 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' HH11 ' A' ' 53' ' ' ARG . 0.0 OUTLIER -63.62 -42.97 98.13 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.5 175.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.27 -39.29 89.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.35 0.595 . . . . 0.0 110.662 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -70.79 -37.64 73.32 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.796 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.5 tp -63.75 -40.41 96.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.003 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.2 m -60.76 -47.48 86.13 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.679 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -66.8 -29.34 69.26 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.446 0.641 . . . . 0.0 110.253 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.401 HD12 ' HG1' ' A' ' 67' ' ' THR . 0.8 OUTLIER -69.88 -39.93 76.01 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.13 -28.83 69.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.477 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.89 -43.59 71.48 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.118 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.7 m -77.13 -51.94 17.66 Favored 'Isoleucine or valine' 0 C--O 1.246 0.892 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HE3' ' HG2' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -155.37 94.33 2.6 Favored Pre-proline 0 C--O 1.246 0.899 0 CA-C-O 121.22 0.533 . . . . 0.0 111.51 179.044 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.506 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 23.9 Cg_endo -62.14 -17.24 55.47 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.132 2.554 . . . . 0.0 113.979 -176.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -54.32 -49.38 69.82 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.621 0.724 . . . . 0.0 109.821 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.436 ' HG2' ' HE3' ' A' ' 63' ' ' LYS . 25.5 mmmt -78.62 -28.78 45.64 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.981 -175.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.401 ' HG1' HD12 ' A' ' 59' ' ' LEU . 7.4 m -56.17 -46.41 79.36 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 28.8 mtpp -57.08 -39.57 75.23 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.372 0.669 . . . . 0.0 111.237 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.89 -45.63 64.0 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.933 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.22 -35.27 52.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' O ' HG13 ' A' ' 75' ' ' ILE . 51.7 mt-10 -59.52 -47.54 85.15 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.511 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 23.9 t-20 -60.67 -43.86 97.16 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.566 177.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -61.9 -45.37 94.02 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.433 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.67 -37.4 86.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.871 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 71' ' ' GLU . 77.5 mt -58.1 -40.33 76.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 56.6 mm-40 -65.99 -50.05 65.67 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.3 ttt -61.32 -38.09 85.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.453 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.27 -32.01 72.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.004 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -71.04 -19.0 62.55 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.178 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.435 ' HD1' ' O ' ' A' ' 76' ' ' GLN . 39.1 m-85 -77.68 -17.82 57.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.913 0.387 . . . . 0.0 110.958 175.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.82 25.6 75.11 Favored Glycine 0 C--O 1.226 -0.348 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -92.45 4.44 53.47 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.42 ' HG ' ' CG1' ' A' ' 47' ' ' VAL . 2.9 mm? -94.67 90.98 6.31 Favored 'General case' 0 CA--C 1.485 -1.553 0 C-N-CA 119.326 -0.95 . . . . 0.0 112.063 -176.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.1 m -86.35 -42.69 13.47 Favored 'General case' 0 N--CA 1.41 -2.457 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -102.75 164.97 11.32 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.181 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -76.15 143.84 40.93 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.578 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.3 t -79.11 116.64 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.894 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 171.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.8 p -80.65 174.06 11.99 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.236 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' O ' HG13 ' A' ' 93' ' ' ILE . 46.2 mt-10 -59.37 -46.12 89.53 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.395 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 94' ' ' GLU . 11.5 pt20 -60.58 -35.41 76.01 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 123.581 0.551 . . . . 0.0 110.598 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.69 -45.47 65.81 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.63 -39.9 89.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.541 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 93.6 mt -67.67 -37.4 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.928 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 61.7 mm-40 -62.3 -44.08 97.33 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.607 ' O ' HG21 ' A' ' 99' ' ' VAL . 82.5 mt -61.58 -51.06 77.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.542 176.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 41.6 tp -51.88 -39.05 58.36 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.106 0.962 . . . . 0.0 111.315 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 99.4 mttt -58.83 -48.33 81.72 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.632 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.573 ' O ' ' HB ' ' A' ' 103' ' ' THR 0.326 0.0 OUTLIER -74.88 -23.63 58.42 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 119.609 -0.836 . . . . 0.0 112.78 -176.739 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' ' 95' ' ' ILE . 2.9 t -93.82 -7.7 10.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.021 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.173 -176.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.5 p -47.11 -45.13 21.97 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.673 1.189 . . . . 0.0 114.114 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -92.85 -71.77 0.63 Allowed 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 173.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 102' ' ' GLN . 15.7 pt20 -177.15 104.73 0.05 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.111 0.964 . . . . 0.0 110.885 175.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.573 ' HB ' ' O ' ' A' ' 98' ' ' LYS . 91.2 m -151.85 79.57 1.26 Allowed 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 174.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.76 -10.05 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.019 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -80.71 88.9 5.74 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.0 t -88.81 157.19 18.55 Favored 'General case' 0 N--CA 1.416 -2.132 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.7 m -79.31 76.37 5.87 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-O 121.946 0.879 . . . . 0.0 110.133 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 58.7 m -164.94 146.0 7.61 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.2 m -82.91 96.44 3.86 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-O 121.827 0.822 . . . . 0.0 110.441 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -92.95 144.19 25.5 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.64 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -83.01 168.32 17.08 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.258 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 . . . . . 0 C--N 1.306 -1.289 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 -178.5 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.676 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.536 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 19.6 m -62.13 114.94 3.71 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 122.796 0.438 . . . . 0.0 110.411 177.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.86 -48.94 63.78 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 124.263 1.025 . . . . 0.0 112.85 -175.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -68.07 -34.51 76.57 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.402 -176.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -70.75 -49.87 42.17 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 1' ' ' SER . 64.9 mm-40 -56.97 -45.58 82.81 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.077 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.06 -54.13 47.01 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.087 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -65.74 -38.94 90.51 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.65 90.93 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.913 0.387 . . . . 0.0 110.598 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.22 -48.3 36.2 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.063 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -63.67 -40.26 96.39 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -175.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -64.89 -30.24 71.22 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.913 0.387 . . . . 0.0 111.734 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -74.67 -49.68 20.42 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -58.86 -34.81 72.02 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.802 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.89 -39.22 72.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.131 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.95 93.13 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.286 0.565 . . . . 0.0 109.871 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -57.31 -49.5 75.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.591 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -66.36 -46.61 76.15 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.187 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -47.83 -49.46 29.07 Favored 'General case' 0 C--O 1.245 0.864 0 O-C-N 124.758 1.286 . . . . 0.0 109.72 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 169.44 120.45 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 124.544 1.152 . . . . 0.0 111.075 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -85.75 -46.84 10.31 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 170.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 168.87 -25.85 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 114.177 -1.374 . . . . 0.0 109.149 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.22 -5.7 49.89 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.701 -0.681 . . . . 0.0 114.255 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -99.2 127.99 33.17 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 176.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.93 -18.59 46.68 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.518 2.145 . . . . 0.0 113.832 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.05 21.61 78.9 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 -176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.443 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 17.5 t70 -74.51 -37.71 63.04 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -176.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.67 -29.4 69.4 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.732 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.0 78.06 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.395 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.421 ' HG2' ' HA ' ' A' ' 26' ' ' ASP . 12.8 pt20 -71.45 -37.56 71.37 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.372 178.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 26' ' ' ASP . 79.7 mt-30 -58.52 -46.33 86.99 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 176.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.09 -51.6 67.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.344 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.97 92.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.068 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -69.21 -33.59 73.56 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.387 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -63.26 -38.78 92.49 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -64.79 -40.32 95.04 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 24.3 mt-10 -62.68 -47.48 83.48 Favored 'General case' 0 C--O 1.189 -2.122 0 O-C-N 123.628 0.58 . . . . 0.0 110.875 176.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.63 -53.54 18.16 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.701 0.8 . . . . 0.0 111.993 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.49 -37.12 86.44 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 84.8 mtp -74.29 -41.08 61.77 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.051 0.453 . . . . 0.0 111.62 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 15.9 mmt180 -63.71 -45.67 88.93 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -56.83 -35.25 68.61 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.933 -175.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -55.79 -51.21 68.24 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 123.04 0.213 . . . . 0.0 111.121 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.454 HD11 ' H ' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -78.51 -44.52 26.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 174.581 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.5 mt -59.4 -42.45 91.77 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -173.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.17 -18.57 62.48 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 120.741 0.305 . . . . 0.0 111.6 -176.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -84.89 -26.63 27.18 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 120.723 0.297 . . . . 0.0 111.457 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.5 m -95.97 -41.68 11.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.512 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.3 mt -79.67 125.76 30.05 Favored 'General case' 0 CA--C 1.492 -1.265 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -76.98 179.93 5.91 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -48.52 -50.36 32.24 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -169.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 m -81.32 -22.19 38.69 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-O 121.138 0.494 . . . . 0.0 111.111 -173.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.35 -35.39 79.27 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.462 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -31.4 66.32 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 118.962 -1.095 . . . . 0.0 110.625 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.14 76.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' HD2' ' OE1' ' A' ' 89' ' ' GLU . 5.0 tpm_? -55.7 -46.42 77.66 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.311 1.044 . . . . 0.0 109.708 175.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.32 -47.05 85.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.235 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.7 t -63.33 -40.08 96.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.08 0.467 . . . . 0.0 109.985 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -64.35 -44.03 92.73 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -40.53 97.5 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.244 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.57 -33.7 73.09 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.866 0.866 . . . . 0.0 111.92 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.38 -44.59 58.25 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.739 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.3 m -75.22 -59.72 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -135.77 92.11 17.16 Favored Pre-proline 0 CA--C 1.51 -0.558 0 CA-C-N 118.673 0.67 . . . . 0.0 109.85 178.719 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.12 -13.02 35.3 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 123.299 2.666 . . . . 0.0 112.922 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.33 -38.58 81.66 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 121.387 0.613 . . . . 0.0 109.829 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -79.48 -30.48 42.06 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.619 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.448 ' HA ' HG22 ' A' ' 70' ' ' VAL . 1.9 m -62.25 -40.73 97.18 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -53.46 -45.66 69.63 Favored 'General case' 0 C--O 1.246 0.913 0 C-N-CA 124.209 1.004 . . . . 0.0 109.98 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.22 -51.12 33.29 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.565 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.448 HG22 ' HA ' ' A' ' 67' ' ' THR . 35.3 m -63.53 -39.61 85.96 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.584 ' O ' HG12 ' A' ' 75' ' ' ILE . 42.4 mt-10 -54.64 -53.1 59.15 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -56.8 -48.17 78.58 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.795 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -65.35 -42.16 93.1 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.298 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.22 -40.51 94.19 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 121.35 -0.14 . . . . 0.0 111.362 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.584 HG12 ' O ' ' A' ' 71' ' ' GLU . 44.5 mm -61.1 -45.76 97.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 177.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.407 ' O ' ' HD2' ' A' ' 80' ' ' TYR . 7.0 tp60 -62.59 -46.83 86.52 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.573 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 55.0 ttm -59.07 -46.18 88.92 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.65 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.18 -37.32 84.84 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.756 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.34 -28.9 68.36 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.407 ' HD2' ' O ' ' A' ' 76' ' ' GLN . 77.6 m-85 -86.71 -20.35 27.85 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.327 177.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.63 22.56 78.65 Favored Glycine 0 CA--C 1.507 -0.457 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -82.83 27.9 0.52 Allowed 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.543 0.737 . . . . 0.0 111.035 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.64 145.88 38.54 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.938 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 34.9 m -145.58 93.41 2.35 Favored 'General case' 0 C--N 1.28 -2.434 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HB3' ' O ' ' A' ' 84' ' ' SER . 9.7 tp10 79.3 164.57 0.2 Allowed 'General case' 0 C--O 1.244 0.813 0 O-C-N 124.892 1.37 . . . . 0.0 109.497 -174.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -64.95 146.57 54.81 Favored 'General case' 0 N--CA 1.42 -1.934 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.285 175.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.3 t -83.11 111.2 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.136 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 172.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 p -93.84 -170.66 2.38 Favored 'General case' 0 C--N 1.283 -2.29 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' OE1' ' HD2' ' A' ' 55' ' ' ARG . 42.7 mt-10 -62.67 -37.28 85.78 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 174.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -61.21 -50.27 73.8 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.55 0.531 . . . . 0.0 109.675 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.18 -42.82 99.73 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.453 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.8 tp -67.86 -38.87 83.67 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 122.807 -0.231 . . . . 0.0 110.492 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.611 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 78.4 mt -65.3 -36.77 78.5 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 177.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 33.5 tp10 -62.52 -46.99 85.87 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' A' ' 98' ' ' LYS . 98.3 mt -63.99 -37.35 79.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.098 0.475 . . . . 0.0 110.298 176.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.56 -41.62 97.64 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.831 176.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' A' ' 93' ' ' ILE . 34.3 mmtp -61.68 -46.32 90.22 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 28.9 mtpp -54.73 -46.27 74.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.285 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.9 m -82.28 -19.03 10.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.4 m -86.67 -54.9 4.12 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 121.608 -0.683 . . . . 0.0 112.016 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -69.48 -55.24 10.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.104 -173.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -100.14 -25.26 14.34 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.834 -177.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 49.1 m 65.24 73.49 0.41 Allowed 'General case' 0 N--CA 1.432 -1.34 0 C-N-CA 124.15 0.98 . . . . 0.0 109.017 -171.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -91.81 109.18 20.5 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.003 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -155.56 159.92 40.08 Favored 'General case' 0 C--N 1.287 -2.13 0 N-CA-C 103.79 -2.671 . . . . 0.0 103.79 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.5 m -71.8 85.83 0.94 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 121.734 0.778 . . . . 0.0 109.508 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 58.9 m -158.41 134.28 9.05 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -157.09 158.3 36.14 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 38.8 t -112.76 -45.14 5.07 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -136.11 130.88 34.03 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.027 -177.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -90.92 -46.38 8.21 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 171.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.31 -1.135 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 177.237 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.637 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.2 m -149.76 112.07 4.68 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.97 -40.56 61.08 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.264 1.025 . . . . 0.0 113.039 -175.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.22 -36.76 85.16 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-O 121.497 0.665 . . . . 0.0 111.569 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -78.83 -52.45 8.32 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.049 -176.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.02 -28.85 70.38 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tt -57.88 -49.14 77.73 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -78.44 -40.37 35.96 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.063 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.42 -52.28 65.88 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.399 0.437 . . . . 0.0 111.644 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.36 -50.27 72.25 Favored 'General case' 0 CA--C 1.5 -0.97 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.447 HH22 ' CG ' ' A' ' 23' ' ' ASP . 36.5 ttt180 -63.65 -42.67 98.08 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 120.364 -0.535 . . . . 0.0 112.042 -175.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -47.8 82.53 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.615 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 49.1 tt0 -61.91 -47.61 84.16 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.523 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -56.2 -42.63 77.48 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.176 0.99 . . . . 0.0 111.214 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.85 -41.31 95.8 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.869 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' HA ' ' CA ' ' A' ' 19' ' ' ALA . . . -65.69 -41.74 92.04 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.068 0.855 . . . . 0.0 110.795 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 55.7 mm-40 -54.78 -46.81 74.49 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 124.274 1.03 . . . . 0.0 110.754 177.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.75 -58.66 4.63 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.817 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -157.53 -26.55 0.09 Allowed 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.403 ' CA ' ' HA ' ' A' ' 15' ' ' ALA . . . 81.95 108.26 0.06 Allowed 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 125.312 1.445 . . . . 0.0 111.726 -177.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -161.64 150.34 15.67 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -139.32 19.31 2.57 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.8 58.55 5.01 Favored Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.273 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.447 ' CG ' HH22 ' A' ' 10' ' ' ARG . 1.8 p-10 -149.13 123.26 4.69 Favored Pre-proline 0 C--N 1.303 -1.438 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 176.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -93.91 20.91 0.63 Allowed 'Trans proline' 0 N--CA 1.444 -1.395 0 C-N-CA 122.218 1.945 . . . . 0.0 110.423 173.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.98 -57.6 0.42 Allowed Glycine 0 N--CA 1.439 -1.132 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.186 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -61.86 -31.67 71.95 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.73 -43.86 78.96 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.495 0.188 . . . . 0.0 111.377 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.84 -43.34 93.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.056 -175.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -65.1 -38.22 90.0 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.581 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -68.27 -35.61 78.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.18 0.514 . . . . 0.0 110.838 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -69.74 -32.71 71.4 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.954 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.77 77.49 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.755 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -69.06 -26.12 64.8 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.019 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.401 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 60.9 t-80 -65.72 -51.61 57.9 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -68.6 -23.93 64.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.53 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -54.04 -47.87 71.13 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.466 1.106 . . . . 0.0 108.915 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.53 -43.39 63.59 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.49 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 34' ' ' HIS . 42.6 mt-10 -57.02 -49.53 75.5 Favored 'General case' 0 C--O 1.2 -1.507 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -175.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 93.7 mmm -62.02 -39.5 92.51 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -175.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.4 ttp-105 -69.8 -42.35 73.85 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.296 0.57 . . . . 0.0 109.833 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -64.19 -38.92 92.78 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.963 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.486 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 69.6 m -59.51 -45.75 90.83 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 123.568 0.747 . . . . 0.0 111.933 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.5 pt -66.52 -38.39 81.58 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.398 -178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.03 -42.23 94.53 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.049 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.43 -18.93 64.54 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.513 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 71.8 mm-40 -97.32 -38.06 9.8 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 120.971 -0.291 . . . . 0.0 111.727 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.8 m -80.6 -25.45 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.513 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -106.29 130.46 54.13 Favored 'General case' 0 N--CA 1.416 -2.132 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.87 156.73 32.5 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -52.72 -36.45 57.5 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 123.84 0.856 . . . . 0.0 113.001 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.5 m -73.65 -29.67 62.47 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.289 0.566 . . . . 0.0 110.269 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.94 -35.42 62.14 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -60.05 -39.69 86.83 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.344 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.87 -44.32 70.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.098 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -56.44 -47.55 78.88 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.881 0.872 . . . . 0.0 109.91 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 tp -56.95 -47.09 81.5 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.09 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.445 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 49.0 m -62.11 -42.85 99.64 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.702 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -62.91 -38.34 90.6 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.141 0.496 . . . . 0.0 110.164 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.57 -39.3 91.51 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.24 -29.31 70.31 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.464 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 57' ' ' SER . 98.1 mt -77.38 -26.34 51.74 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.29 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 m -93.75 -45.46 13.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.765 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -161.3 102.34 1.23 Allowed Pre-proline 0 C--O 1.243 0.712 0 CA-C-O 121.51 0.672 . . . . 0.0 112.159 173.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.446 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 48.7 Cg_endo -67.06 -8.53 22.06 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.539 2.826 . . . . 0.0 114.078 -176.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -44.36 95.0 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -77.28 -29.2 53.73 Favored 'General case' 0 C--N 1.309 -1.163 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.817 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' HA ' ' A' ' 64' ' ' PRO . 7.1 m -61.28 -51.13 70.21 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.585 177.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -62.78 -31.16 72.07 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.665 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.64 -51.18 53.09 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.356 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.4 m -65.74 -39.16 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.892 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 75' ' ' ILE . 55.9 mt-10 -63.36 -51.84 64.22 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 121.289 -0.164 . . . . 0.0 110.65 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -55.65 -43.65 76.45 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 123.653 0.595 . . . . 0.0 110.145 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -60.26 -51.7 68.43 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.538 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.94 -42.61 99.31 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 71' ' ' GLU . 72.0 mt -52.93 -49.08 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-O 121.227 0.537 . . . . 0.0 110.296 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.491 ' O ' ' HD1' ' A' ' 80' ' ' TYR . 23.9 mt-30 -73.9 -51.2 16.9 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.293 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.5 ttt -59.29 -39.94 84.58 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 123.368 0.667 . . . . 0.0 111.375 -174.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.49 -39.42 91.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.567 0.222 . . . . 0.0 111.242 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -68.74 -13.02 62.12 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.491 ' HD1' ' O ' ' A' ' 76' ' ' GLN . 45.3 m-85 -95.81 8.36 43.75 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.184 0.516 . . . . 0.0 110.741 175.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.57 4.07 89.35 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.665 -0.698 . . . . 0.0 113.163 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -72.58 -23.85 61.02 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.707 -0.29 . . . . 0.0 111.484 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -112.29 113.43 25.64 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-O 121.257 0.551 . . . . 0.0 111.975 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.4 t -126.71 5.5 6.72 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -125.57 167.15 15.46 Favored 'General case' 0 N--CA 1.435 -1.222 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 46.1 mtmt -92.72 134.42 35.06 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 120.962 0.41 . . . . 0.0 110.082 175.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.4 t -87.07 117.65 31.63 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.236 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -86.06 -179.8 6.83 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.514 ' O ' HG13 ' A' ' 93' ' ' ILE . 46.2 mt-10 -56.03 -48.53 75.8 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 118.301 0.5 . . . . 0.0 111.625 -178.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -59.43 -34.86 73.01 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.722 0.639 . . . . 0.0 111.297 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.64 -34.85 52.84 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.7 tp -74.03 -27.76 61.09 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 89' ' ' GLU . 97.4 mt -64.93 -31.45 53.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.3 -42.38 99.03 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 98' ' ' LYS . 29.5 mm -69.15 -39.64 79.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.617 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.2 tp -64.81 -42.17 95.21 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.208 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.85 -37.1 85.49 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.53 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.522 ' HB3' ' HA ' ' A' ' 104' ' ' GLU . 94.9 mttt -56.78 -58.18 9.25 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 121.466 0.651 . . . . 0.0 111.109 176.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.38 -21.05 19.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.037 -0.983 . . . . 0.0 113.133 -172.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.0 p -83.63 -19.53 35.28 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -105.15 -38.88 6.4 Favored 'General case' 0 C--N 1.311 -1.081 0 C-N-CA 119.088 -1.045 . . . . 0.0 111.811 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -132.7 -91.24 0.39 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.26 0.553 . . . . 0.0 110.422 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 55.4 m -160.95 -56.02 0.05 Allowed 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.522 ' HA ' ' HB3' ' A' ' 98' ' ' LYS . 11.2 pt-20 -151.26 164.34 36.84 Favored 'General case' 0 N--CA 1.415 -2.218 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 171.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -143.31 143.55 31.74 Favored 'General case' 0 N--CA 1.422 -1.83 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.3 t -88.87 99.94 12.79 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 174.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.6 m -54.14 118.77 4.32 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.991 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.0 m -124.5 82.22 2.02 Favored 'General case' 0 N--CA 1.424 -1.747 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.5 p -115.55 -20.42 5.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.497 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt 61.33 70.68 0.59 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.379 -177.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -149.01 145.61 27.38 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 106.166 -1.791 . . . . 0.0 106.166 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 18.1 m120 . . . . . 0 C--N 1.3 -1.574 0 CA-C-O 119.349 -0.358 . . . . 0.0 111.163 -175.875 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.57 0 N-CA-C 112.218 -0.353 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m -73.19 152.77 40.96 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.01 -51.82 62.75 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 123.452 0.701 . . . . 0.0 112.838 -176.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -65.15 -40.18 94.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.952 0.882 . . . . 0.0 110.028 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.8 -52.16 64.25 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 113.622 -1.626 . . . . 0.0 110.638 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 11.9 pt-20 -67.32 -39.4 85.85 Favored 'General case' 0 C--O 1.207 -1.182 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.508 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.85 -39.61 94.91 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 122.181 0.192 . . . . 0.0 111.207 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.94 -45.01 94.49 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.611 0.72 . . . . 0.0 109.347 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.78 90.93 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.731 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 78.7 mt -61.8 -43.53 98.67 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 123.235 0.614 . . . . 0.0 111.646 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -58.91 -43.47 91.08 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-O 121.108 0.48 . . . . 0.0 110.419 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -64.55 -41.51 96.28 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.724 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.515 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 8.6 tt0 -64.85 -46.85 80.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.901 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.87 -38.75 70.54 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.464 0.706 . . . . 0.0 110.01 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.04 -33.4 75.95 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.083 0.468 . . . . 0.0 110.833 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.29 -40.82 35.76 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.353 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 34.1 mt-10 -63.63 -39.82 95.33 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 121.506 0.669 . . . . 0.0 110.361 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.23 -35.08 66.94 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.764 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 58.67 77.54 0.29 Allowed 'General case' 0 C--O 1.247 0.967 0 O-C-N 124.277 0.986 . . . . 0.0 108.694 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' HB2' ' HB2' ' A' ' 26' ' ' ASP . . . -53.36 114.83 1.63 Allowed 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 113.956 -1.474 . . . . 0.0 111.568 -176.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -92.98 149.96 20.87 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 114.673 -1.149 . . . . 0.0 109.693 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -72.87 79.32 1.15 Allowed 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 123.051 1.405 . . . . 0.0 111.001 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.07 46.49 0.02 OUTLIER Glycine 0 N--CA 1.43 -1.745 0 N-CA-C 106.671 -2.571 . . . . 0.0 106.671 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -149.41 138.38 12.46 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.27 -32.6 88.54 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 122.851 2.368 . . . . 0.0 112.625 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.05 -15.69 81.41 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.397 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . 13.3 t70 -104.09 -63.71 1.17 Allowed 'General case' 0 CA--C 1.493 -1.245 0 O-C-N 122.837 -0.213 . . . . 0.0 111.156 178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.08 85.73 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -171.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.46 -45.71 61.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.361 0.6 . . . . 0.0 110.483 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -69.87 -36.46 75.51 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.102 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.598 HE21 ' HA ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -65.07 -39.53 93.39 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.305 -179.267 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.644 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 36.8 tt0 -57.7 -54.73 43.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 123.533 0.521 . . . . 0.0 110.106 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.07 84.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.562 -177.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -73.05 -32.69 65.22 Favored 'General case' 0 C--O 1.248 0.99 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.39 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -74.33 -30.67 62.13 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.933 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.644 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 77.8 mtp180 -62.94 -36.88 84.89 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 176.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -62.41 -48.75 78.32 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.392 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.19 -53.55 8.1 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.105 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.78 -46.37 85.54 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -172.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 56.0 ttp -66.96 -33.24 75.16 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.162 0.506 . . . . 0.0 110.943 -176.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -74.02 -46.21 44.89 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.738 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.34 -47.87 53.82 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.537 -0.756 . . . . 0.0 113.001 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m -59.62 -26.55 65.57 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -172.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.431 ' O ' HG23 ' A' ' 47' ' ' VAL . 18.5 pt -71.35 -38.1 67.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 C-N-CA 118.758 -1.177 . . . . 0.0 111.252 177.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.412 HD13 HG13 ' A' ' 43' ' ' ILE . 5.7 mp -79.64 -31.08 41.52 Favored 'General case' 0 C--O 1.206 -1.204 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.885 176.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.48 -22.54 62.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -84.88 -34.02 22.69 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.328 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 43' ' ' ILE . 15.6 t -79.67 -41.23 21.84 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.519 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -101.65 120.32 40.14 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 120.725 0.298 . . . . 0.0 110.411 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.48 161.4 17.31 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 172.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -49.9 -32.64 15.07 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 123.929 0.892 . . . . 0.0 111.746 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.9 p -65.05 -47.29 77.9 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.102 0.477 . . . . 0.0 110.081 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.5 -35.52 75.61 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.043 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -62.23 -43.91 97.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.846 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.32 -40.18 81.75 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.11 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.522 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 6.4 tpt180 -64.38 -37.53 87.83 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.7 tp -58.25 -41.06 83.37 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 123.837 0.855 . . . . 0.0 110.063 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.448 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 24.8 t -66.37 -28.68 68.83 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.57 -46.96 80.49 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.79 -39.1 93.43 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.658 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.7 -22.91 67.09 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 122.959 0.504 . . . . 0.0 112.265 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 57' ' ' SER . 95.1 mt -91.83 -15.79 27.7 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 120.817 0.342 . . . . 0.0 110.654 -178.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 p -108.61 -47.38 7.43 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -141.1 85.62 12.01 Favored Pre-proline 0 C--O 1.245 0.831 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.92 -17.1 58.47 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.858 2.372 . . . . 0.0 113.397 -174.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -71.2 -38.4 72.08 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -74.62 -29.84 61.44 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 6.1 m -64.28 -44.85 90.39 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 174.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -63.21 -39.57 95.0 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.088 -177.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.56 -47.79 80.09 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.799 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -69.03 -36.26 72.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.673 0 C-N-CA 119.466 -0.893 . . . . 0.0 111.078 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.465 ' O ' HG13 ' A' ' 75' ' ' ILE . 40.0 mt-10 -54.25 -51.1 65.59 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 176.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.463 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 23.6 t-20 -56.78 -46.6 81.42 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.027 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -62.31 -48.87 77.97 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.399 -178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.411 HD11 HG12 ' A' ' 47' ' ' VAL . 2.8 mm? -63.39 -37.28 86.67 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 71' ' ' GLU . 78.7 mt -59.1 -44.68 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 CA-C-O 120.86 0.362 . . . . 0.0 110.165 177.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 12.2 mm100 -68.48 -43.68 76.42 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.465 0.65 . . . . 0.0 109.6 178.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.3 tpt -58.42 -46.13 87.07 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 125.495 1.518 . . . . 0.0 110.477 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.58 88.05 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.121 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -67.51 -38.35 84.18 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.314 -177.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -75.34 -15.44 60.48 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.618 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.27 59.71 1.72 Allowed Glycine 0 N--CA 1.436 -1.338 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.124 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.441 ' CD ' ' HG2' ' A' ' 110' ' ' LYS . 14.8 mm100 -111.24 21.18 16.59 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.531 0.681 . . . . 0.0 110.861 178.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.76 96.88 7.08 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.704 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 m -75.1 -57.09 4.11 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 170.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -169.98 -168.58 0.77 Allowed 'General case' 0 N--CA 1.427 -1.579 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -73.24 121.76 20.87 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 123.645 0.59 . . . . 0.0 110.146 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.428 ' CG1' ' HA3' ' A' ' 91' ' ' GLY . 50.4 t -84.28 137.52 20.74 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.963 0 C-N-CA 124.239 1.016 . . . . 0.0 108.461 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.0 m -87.48 -170.58 3.09 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.135 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.614 ' O ' HG12 ' A' ' 93' ' ' ILE . 38.0 mt-10 -56.99 -48.07 79.3 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 123.346 0.658 . . . . 0.0 111.269 -175.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -57.39 -41.18 79.76 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 123.313 0.645 . . . . 0.0 112.287 -175.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.428 ' HA3' ' CG1' ' A' ' 87' ' ' VAL . . . -63.94 -38.41 96.03 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.215 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.3 tp -68.17 -35.68 78.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.614 HG12 ' O ' ' A' ' 89' ' ' GLU . 23.5 mm -62.58 -41.58 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.88 -36.38 84.16 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.602 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 77.7 mt -68.74 -36.14 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 45.0 tp -62.15 -38.76 90.25 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.772 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -58.66 -47.86 83.02 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.686 ' HB3' ' O ' ' A' ' 103' ' ' THR . 93.7 mttt -53.28 -52.07 60.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.987 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.1 m -74.44 -22.19 17.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.255 -175.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.6 m -74.46 -31.51 62.26 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 121.326 0.584 . . . . 0.0 109.862 172.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -73.68 -65.71 0.79 Allowed 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -150.06 -72.16 0.18 Allowed 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.686 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 92.3 m -177.05 -61.9 0.01 OUTLIER 'General case' 0 C--O 1.203 -1.35 0 N-CA-C 102.709 -3.071 . . . . 0.0 102.709 177.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 158.05 153.33 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 127.62 2.368 . . . . 0.0 106.292 171.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -107.29 93.35 4.5 Favored 'General case' 0 C--N 1.28 -2.43 0 N-CA-C 104.52 -2.4 . . . . 0.0 104.52 169.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.1 m -53.92 99.69 0.03 OUTLIER 'General case' 0 N--CA 1.428 -1.548 0 O-C-N 124.359 1.037 . . . . 0.0 111.925 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.7 m -130.62 96.13 4.03 Favored 'General case' 0 N--CA 1.415 -2.205 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.4 m 61.31 70.02 0.63 Allowed 'General case' 0 CA--C 1.558 1.256 0 O-C-N 124.169 0.918 . . . . 0.0 110.196 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.1 t -126.4 -41.86 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.351 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.441 ' HG2' ' CD ' ' A' ' 82' ' ' GLN . 10.1 tmtt? -94.54 97.8 10.39 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 -176.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -93.11 -24.41 18.28 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.257 -174.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 44.3 t30 . . . . . 0 C--N 1.321 -0.659 0 O-C-N 123.868 0.73 . . . . 0.0 110.614 -179.041 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.001 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 13.8 m -70.89 168.44 16.87 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 123.359 0.664 . . . . 0.0 110.471 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.2 -35.84 72.22 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 123.284 0.633 . . . . 0.0 111.58 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -70.81 -44.09 67.28 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.117 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -57.19 -42.54 81.39 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.659 0.784 . . . . 0.0 111.246 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 1' ' ' SER . 9.9 mm-40 -70.02 -49.98 45.95 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.122 0.487 . . . . 0.0 110.437 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.8 -43.88 94.23 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.555 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -65.7 -39.97 91.79 Favored 'General case' 0 C--O 1.183 -2.447 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.821 -177.616 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.27 96.02 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 120.984 0.421 . . . . 0.0 111.25 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.29 -53.21 31.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.412 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 40.8 ttt180 -58.07 -48.89 78.75 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 123.568 0.747 . . . . 0.0 111.158 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' GLU . 65.6 ttt180 -56.78 -47.58 79.84 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 125.3 1.44 . . . . 0.0 110.889 -178.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 32.9 tt0 -64.8 -39.34 93.43 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.256 178.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -69.56 -32.75 71.72 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.791 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 10' ' ' ARG . 80.3 mt -67.83 -32.45 73.0 Favored 'General case' 0 N--CA 1.425 -1.684 0 C-N-CA 123.163 0.585 . . . . 0.0 110.839 175.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.2 94.54 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.125 0.488 . . . . 0.0 110.152 175.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 17.7 mt-10 -71.27 -33.68 70.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 122.053 0.93 . . . . 0.0 109.737 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.25 -20.72 61.49 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.507 -1.224 . . . . 0.0 107.703 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 70.79 29.12 3.23 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 125.254 1.422 . . . . 0.0 109.8 -178.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.57 157.24 16.62 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.09 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -77.67 150.4 34.55 Favored 'General case' 0 N--CA 1.427 -1.579 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 87.17 -1.55 0.57 Allowed 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 126.395 1.878 . . . . 0.0 110.434 -172.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -110.04 43.85 1.63 Allowed Glycine 0 N--CA 1.427 -1.945 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.225 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.25 148.73 71.49 Favored Pre-proline 0 C--N 1.307 -1.259 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -91.54 19.58 1.03 Allowed 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 121.943 1.762 . . . . 0.0 112.118 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -43.29 -75.35 0.15 Allowed Glycine 0 C--N 1.349 1.277 0 C-N-CA 124.539 1.066 . . . . 0.0 115.57 -173.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -51.0 -52.93 37.87 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.05 81.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.972 -176.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.75 -51.52 12.49 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.855 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 25' ' ' GLY . 13.4 pt20 -63.05 -31.68 72.88 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -174.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -71.0 -41.01 71.5 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.939 -0.305 . . . . 0.0 110.934 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 40.6 tt0 -69.03 -46.99 66.54 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 176.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -56.32 -44.71 80.23 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.535 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.444 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -63.1 -37.88 88.97 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 122.776 0.43 . . . . 0.0 110.734 178.751 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -69.12 -35.94 76.97 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.929 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 81.9 mtp180 -70.41 -28.93 65.46 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.734 177.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 48.9 mm-40 -68.34 -42.14 79.73 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.934 175.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.52 73.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.646 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -79.56 -51.12 9.7 Favored 'General case' 0 N--CA 1.432 -1.326 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.966 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -85.38 -47.02 10.4 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -174.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -71.17 -26.89 63.17 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 -171.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -57.54 -31.2 65.85 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.537 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.1 m -60.32 -37.83 81.82 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.91 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.497 ' O ' HG23 ' A' ' 47' ' ' VAL . 20.3 pt -76.78 -38.75 30.21 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 C-N-CA 118.942 -1.103 . . . . 0.0 109.681 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.5 -33.81 74.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.726 -176.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.02 77.21 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.061 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -98.21 -19.74 17.68 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 43' ' ' ILE . 83.5 t -72.32 -41.75 65.58 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.958 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.507 HD12 HH11 ' A' ' 53' ' ' ARG . 87.8 mt -87.57 134.8 33.57 Favored 'General case' 0 N--CA 1.407 -2.591 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.72 147.01 50.95 Favored 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 172.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -47.93 -37.85 15.29 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.532 0.733 . . . . 0.0 112.486 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -65.55 -39.86 92.21 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 121.345 0.593 . . . . 0.0 109.794 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.39 -35.77 60.99 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.422 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.507 HH11 HD12 ' A' ' 48' ' ' LEU . 19.8 tpt180 -66.64 -40.7 88.82 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.81 -41.78 96.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.138 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -61.47 -39.38 90.7 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.534 0.734 . . . . 0.0 110.44 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.7 tp -73.0 -29.57 63.13 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.046 0.45 . . . . 0.0 111.261 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.0 m -67.49 -37.6 83.09 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 122.125 0.964 . . . . 0.0 109.244 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -65.45 -37.81 87.99 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.121 -1.4 . . . . 0.0 108.899 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -40.39 87.32 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.39 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.77 -28.47 70.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.12 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.67 -42.18 82.54 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.922 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.54 -48.78 17.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HE2' ' HG3' ' A' ' 66' ' ' LYS . 22.2 pttm -159.43 104.8 1.5 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 121.291 0.567 . . . . 0.0 112.506 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -71.05 -9.32 25.39 Favored 'Trans proline' 0 C--O 1.241 0.631 0 C-N-CA 123.668 2.912 . . . . 0.0 114.76 -174.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.61 -32.38 62.31 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 119.152 -1.019 . . . . 0.0 110.554 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HG3' ' HE2' ' A' ' 63' ' ' LYS . 25.8 mmmt -78.84 -29.89 44.9 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.3 m -60.95 -51.33 69.74 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.153 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -63.99 -30.53 71.6 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.823 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.89 -51.41 62.13 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 123.635 0.585 . . . . 0.0 110.405 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.3 m -69.66 -37.52 74.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.63 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.502 ' O ' HG13 ' A' ' 75' ' ' ILE . 42.0 mt-10 -60.77 -41.83 96.29 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.008 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -66.02 -36.34 83.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.671 0.748 . . . . 0.0 109.185 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -67.2 -44.21 80.14 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.617 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.75 -37.9 80.26 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 71' ' ' GLU . 63.5 mt -54.91 -44.67 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 79' ' ' ARG . 64.4 mt-30 -75.64 -45.65 36.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.179 -177.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.42 ' HG2' ' HB2' ' A' ' 82' ' ' GLN . 34.8 ttp -64.93 -40.73 95.48 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.376 -174.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.0 -36.02 82.16 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.127 0.489 . . . . 0.0 110.114 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 76' ' ' GLN . 73.1 ttt180 -58.89 -35.82 73.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.659 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -89.48 13.75 13.07 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.24 26.1 58.19 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.285 -0.959 . . . . 0.0 113.652 174.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.42 ' HB2' ' HG2' ' A' ' 77' ' ' MET . 16.1 mm100 -87.88 6.81 33.72 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.751 0.786 . . . . 0.0 109.77 176.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.413 HD11 ' O ' ' A' ' 85' ' ' GLU . 65.3 tp -110.59 91.18 3.55 Favored 'General case' 0 N--CA 1.418 -2.044 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.617 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.6 m -95.42 -24.69 16.57 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' O ' HD11 ' A' ' 83' ' ' LEU . 6.5 tp10 -159.92 161.64 34.32 Favored 'General case' 0 N--CA 1.427 -1.596 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.461 ' HB2' ' HZ1' ' A' ' 86' ' ' LYS . 9.9 mtmp? -52.82 128.0 25.29 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 124.459 1.099 . . . . 0.0 111.223 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.42 116.2 5.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.8 m -78.32 176.67 9.1 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.146 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -51.32 -48.38 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 123.732 0.813 . . . . 0.0 111.486 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -62.97 -28.16 69.9 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.498 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -75.97 -40.14 31.13 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.4 tp -66.71 -47.28 72.86 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.429 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 88.5 mt -61.08 -30.9 48.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.752 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.18 -48.16 81.28 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.367 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 77.4 mt -69.45 -42.63 81.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.381 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.1 tp -54.28 -46.4 72.69 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.651 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.56 ' HB2' ' HZ2' ' A' ' 97' ' ' LYS . 10.1 mtmp? -60.24 -45.6 92.7 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . 0.314 0.0 OUTLIER -71.73 -29.48 64.58 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -179.306 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' A' ' 105' ' ' LYS . 22.6 m -82.75 -18.76 10.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.003 175.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 t -64.48 -48.93 73.37 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.5 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -82.45 -76.51 0.26 Allowed 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.758 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -168.58 113.85 0.62 Allowed 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.407 0.623 . . . . 0.0 112.594 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.4 m -163.96 -66.01 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 171.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.455 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 5.8 mm-40 -136.58 51.14 2.01 Favored 'General case' 0 C--O 1.21 -1.017 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 62.7 pttt -51.49 -28.62 13.88 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -170.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.0 t -155.4 24.51 0.41 Allowed 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.0 m 67.66 101.22 0.05 Allowed 'General case' 0 C--N 1.36 1.037 0 CA-C-N 113.378 -1.737 . . . . 0.0 107.481 -167.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.5 p -66.73 165.98 13.95 Favored 'General case' 0 C--O 1.255 1.343 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -170.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . 0.323 33.0 m 48.96 63.52 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.598 0 C-N-CA 125.842 1.657 . . . . 0.0 112.244 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.516 ' HB2' ' HZ2' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -154.6 121.93 5.68 Favored 'General case' 0 N--CA 1.417 -2.114 0 CA-C-N 113.283 -1.781 . . . . 0.0 106.504 -176.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -114.58 120.92 41.83 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.927 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 C--N 1.305 -1.357 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 178.074 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.211 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.9 m -79.86 104.37 10.39 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 176.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.05 -40.05 63.7 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.496 0.718 . . . . 0.0 112.391 -174.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -62.56 -44.42 96.39 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.987 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -72.43 -37.06 68.69 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.598 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.12 -37.19 84.18 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.887 0.375 . . . . 0.0 110.973 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.58 -49.5 74.99 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.704 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 20.3 mm-40 -59.3 -52.99 63.28 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.095 176.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.61 -48.49 66.28 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.683 0.793 . . . . 0.0 112.149 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.26 -43.9 92.44 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.098 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.2 mtp85 -73.34 -42.79 61.86 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.159 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 99.2 mtt180 -61.55 -38.23 86.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.884 0.374 . . . . 0.0 110.567 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.51 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 54.7 tt0 -58.95 -53.07 62.5 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.49 176.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.14 -39.48 92.72 Favored 'General case' 0 C--O 1.201 -1.48 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.705 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.09 -34.92 75.7 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.236 0.541 . . . . 0.0 111.512 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.04 -31.98 64.78 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.223 0.535 . . . . 0.0 110.597 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 18.5 mm-40 -82.24 -36.15 27.45 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.44 0.638 . . . . 0.0 111.493 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.97 -34.41 77.7 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 124.451 1.101 . . . . 0.0 111.296 -174.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 75.75 -60.15 0.5 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.609 1.164 . . . . 0.0 111.83 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.83 114.91 5.42 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.813 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -83.49 72.2 10.28 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 122.1 0.952 . . . . 0.0 111.379 -174.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -168.62 23.24 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 176.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.91 -3.2 83.97 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 114.043 -1.435 . . . . 0.0 114.657 -172.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -78.59 118.79 74.43 Favored Pre-proline 0 C--N 1.311 -1.088 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -106.08 23.76 0.09 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 122.768 2.312 . . . . 0.0 111.571 176.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.85 -42.27 99.51 Favored Glycine 0 CA--C 1.506 -0.5 0 N-CA-C 114.161 0.424 . . . . 0.0 114.161 -172.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.37 -40.89 34.92 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.12 0.486 . . . . 0.0 110.483 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 31' ' ' GLU . . . -59.25 -51.48 69.79 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.72 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.82 81.61 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.995 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.556 HE21 ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -67.02 -45.0 78.84 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.237 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -67.89 -42.88 80.5 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 123.479 0.487 . . . . 0.0 110.318 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 7.9 mm-40 -62.54 -47.46 83.77 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.318 0.386 . . . . 0.0 110.824 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -62.19 -45.68 92.28 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.618 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -67.54 -35.57 79.33 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 120.726 0.298 . . . . 0.0 111.609 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -67.5 -38.7 84.7 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -65.12 -36.37 84.06 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.517 0.727 . . . . 0.0 109.998 178.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 18.2 mm-40 -58.42 -54.29 48.73 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.529 0.68 . . . . 0.0 109.934 175.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.63 96.92 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -54.35 -49.74 69.07 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -59.66 -50.06 75.32 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 123.504 0.502 . . . . 0.0 110.577 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.461 ' NH1' ' HB3' ' A' ' 36' ' ' GLU . 54.7 mtt180 -70.91 -41.81 70.75 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.498 -175.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -67.13 -46.65 73.47 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.107 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -63.34 -35.26 79.8 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 111.428 0.159 . . . . 0.0 111.428 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.447 ' O ' HG23 ' A' ' 47' ' ' VAL . 29.7 pt -75.84 -49.38 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.995 0 C-N-CA 118.812 -1.155 . . . . 0.0 111.102 176.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.93 -37.51 79.7 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.97 -19.51 60.07 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -97.39 -26.07 15.0 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.118 0.485 . . . . 0.0 111.289 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 43' ' ' ILE . 73.8 t -79.31 -44.94 24.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.972 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -91.04 124.38 35.23 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.24 152.89 42.57 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -48.28 -36.63 14.46 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 123.903 0.752 . . . . 0.0 110.878 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.7 p -63.44 -48.26 78.48 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-O 120.815 0.34 . . . . 0.0 110.821 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.56 -36.38 68.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.513 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -62.2 -46.85 87.08 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.39 85.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.904 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -59.51 -47.08 86.92 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.4 tp -68.96 -28.4 66.59 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.401 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 56.2 m -64.0 -42.92 97.01 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.057 0.456 . . . . 0.0 110.626 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -72.15 -39.02 69.06 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -56.8 -39.62 74.45 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.434 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.42 -22.34 63.28 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.915 0.886 . . . . 0.0 112.367 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.5 mt -94.99 -44.03 7.88 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.653 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.5 m -74.04 -42.66 52.36 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -143.99 82.53 10.93 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-O 121.415 0.626 . . . . 0.0 111.733 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -64.22 -20.14 66.65 Favored 'Trans proline' 0 C--O 1.241 0.661 0 C-N-CA 123.806 3.004 . . . . 0.0 113.737 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 1.4 tm-20 -69.34 -39.91 77.86 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -175.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -78.95 -29.98 44.32 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.001 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.2 m -60.83 -46.83 89.03 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.235 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 65.2 pttt -59.56 -37.66 79.04 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.528 -177.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.18 -49.2 52.8 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.373 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -65.77 -41.63 90.67 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 C-N-CA 120.341 -0.543 . . . . 0.0 112.435 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.45 -39.03 92.05 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.739 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -62.22 -42.64 99.49 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -60.86 -48.06 83.51 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.652 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.9 -37.22 86.08 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.535 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.2 mt -58.95 -47.3 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.508 ' O ' ' HB3' ' A' ' 79' ' ' ARG . 16.9 mm-40 -62.8 -45.68 91.52 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.994 0.425 . . . . 0.0 111.114 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.542 ' SD ' ' HB2' ' A' ' 82' ' ' GLN . 17.4 tmm? -66.48 -38.59 87.64 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.317 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.25 -38.16 84.7 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.096 0.474 . . . . 0.0 110.336 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.508 ' HB3' ' O ' ' A' ' 76' ' ' GLN . 75.4 ttt180 -57.21 -43.16 82.53 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 124.815 1.246 . . . . 0.0 110.526 177.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -80.94 -21.53 40.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.512 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.98 50.44 5.53 Favored Glycine 0 N--CA 1.436 -1.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.961 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.542 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 12.5 mm100 -96.43 18.39 14.06 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.393 0.616 . . . . 0.0 109.473 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.75 121.51 20.93 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 115.181 -0.918 . . . . 0.0 113.296 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.8 m -106.26 -56.91 2.12 Favored 'General case' 0 N--CA 1.415 -2.18 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 170.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -136.07 -179.57 5.75 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 123.772 0.829 . . . . 0.0 109.292 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -73.08 139.96 46.86 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.89 125.94 36.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -87.2 178.69 6.81 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.594 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.681 ' O ' HG12 ' A' ' 93' ' ' ILE . 41.1 mt-10 -63.27 -49.45 74.02 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -176.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -60.78 -36.86 80.06 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.654 0.596 . . . . 0.0 110.66 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.44 -39.11 91.41 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.1 tp -67.48 -37.19 82.49 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.681 HG12 ' O ' ' A' ' 89' ' ' GLU . 28.0 mm -59.73 -42.09 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -62.33 -35.62 79.65 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.397 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 73.2 mt -72.64 -39.65 61.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 37.4 tp -59.25 -42.68 91.68 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.141 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.79 -38.32 90.21 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.322 0.582 . . . . 0.0 110.624 177.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -69.22 -38.15 78.41 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.817 -175.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.3 m -79.62 -14.04 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.387 0.613 . . . . 0.0 110.332 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.0 m -78.16 -18.21 55.85 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 121.713 0.768 . . . . 0.0 109.224 174.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.581 HE21 ' HA ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -89.35 -64.54 1.13 Allowed 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 172.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -146.61 -85.93 0.11 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.315 0.578 . . . . 0.0 111.01 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 74.9 m -152.91 -66.29 0.16 Allowed 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -152.73 170.35 20.49 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.127 -1.805 . . . . 0.0 106.127 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 48.92 49.24 19.57 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.857 1.348 . . . . 0.0 111.262 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 p -73.49 16.21 0.21 Allowed 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 114.509 1.299 . . . . 0.0 114.509 -173.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.5 m -101.31 37.1 1.84 Allowed 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 m -45.43 129.46 8.41 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 128.349 2.66 . . . . 0.0 113.114 -177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.6 m -92.41 108.47 20.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 CA-C-O 121.895 0.855 . . . . 0.0 111.716 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -140.13 106.42 5.27 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.707 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -170.18 152.22 4.14 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.319 -0.72 0 O-C-N 124.331 1.019 . . . . 0.0 112.195 -179.321 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.52 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.7 m -89.33 128.32 35.88 Favored 'General case' 0 N--CA 1.419 -1.999 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.28 -39.77 73.2 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.216 0.606 . . . . 0.0 112.241 -174.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.64 -46.68 89.39 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.283 0.563 . . . . 0.0 110.973 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -67.05 -49.38 65.35 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.25 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -58.11 -35.86 72.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.5 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.8 -46.26 79.3 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 41.9 tt0 -71.26 -35.27 71.33 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.285 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.86 92.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.92 0.391 . . . . 0.0 110.087 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.01 -46.4 89.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.454 -0.794 . . . . 0.0 108.874 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -60.71 -44.27 96.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.953 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 86.2 mtt180 -60.8 -42.11 96.95 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.411 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.579 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 36.4 tt0 -63.77 -50.22 69.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.65 0.594 . . . . 0.0 110.12 177.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HD3' ' OE1' ' A' ' 16' ' ' GLU . 30.9 mmt180 -57.97 -40.85 81.66 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.688 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -63.76 -43.84 95.24 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.78 -41.43 92.03 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.833 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 39.3 mt-10 -62.31 -43.02 99.79 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 121.407 0.623 . . . . 0.0 110.619 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.27 -35.92 74.58 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.438 -1.255 . . . . 0.0 109.601 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -97.53 7.69 46.01 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.795 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 64.21 173.64 0.18 Allowed 'General case' 0 C--O 1.243 0.714 0 C-N-CA 124.854 1.262 . . . . 0.0 113.359 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -122.49 174.03 7.3 Favored 'General case' 0 N--CA 1.423 -1.79 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -133.5 76.17 1.65 Allowed 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.73 21.1 3.8 Favored Glycine 0 C--N 1.294 -1.785 0 N-CA-C 108.768 -1.733 . . . . 0.0 108.768 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -93.72 166.19 16.41 Favored Pre-proline 0 C--N 1.297 -1.689 0 CA-C-N 113.604 -1.298 . . . . 0.0 109.383 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -88.53 38.54 0.46 Allowed 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.255 2.636 . . . . 0.0 112.08 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.07 178.21 17.29 Favored Glycine 0 C--O 1.244 0.755 0 CA-C-N 116.28 -0.418 . . . . 0.0 113.753 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -51.99 -46.52 64.91 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.447 1.099 . . . . 0.0 113.318 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.439 ' O ' ' HG2' ' A' ' 31' ' ' GLU . . . -64.56 -36.78 85.34 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.335 -178.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.57 -34.81 79.12 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.327 0.584 . . . . 0.0 110.647 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -72.82 -47.44 46.37 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.062 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -62.73 -42.99 99.93 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.411 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 26.5 mm-40 -63.95 -38.81 92.46 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.346 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -61.44 -43.1 99.47 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.01 0.433 . . . . 0.0 110.553 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -64.43 -40.68 96.22 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.008 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.459 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 76.8 t60 -64.29 -40.52 96.11 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.327 -0.852 . . . . 0.0 109.678 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 84.9 mtp180 -67.9 -29.58 68.71 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.0 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 39.5 mt-10 -63.06 -41.23 99.42 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.28 0.562 . . . . 0.0 110.044 177.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.49 -45.4 65.74 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.145 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 34' ' ' HIS . 50.4 mt-10 -57.26 -37.21 72.0 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.455 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 28.1 ttt -49.6 -51.03 40.17 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.666 0.604 . . . . 0.0 110.99 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -76.88 -51.46 11.22 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.396 0.617 . . . . 0.0 111.595 174.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -60.45 -39.78 88.78 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -169.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.506 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 52.0 p -58.29 -51.6 69.1 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 112.829 0.678 . . . . 0.0 112.829 -173.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.422 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.9 pt -63.84 -37.76 80.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-O 120.787 0.327 . . . . 0.0 111.305 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.89 -53.74 29.13 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.011 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.33 -18.62 63.83 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -177.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 42' ' ' SER . 16.0 mm-40 -83.46 -38.86 21.3 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.623 176.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 43' ' ' ILE . 32.6 m -84.29 -37.06 12.51 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.113 0 C-N-CA 120.104 -0.639 . . . . 0.0 111.565 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.1 mt -78.17 129.78 35.55 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -67.07 156.74 35.33 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 174.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -48.89 -37.86 20.91 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 123.835 0.854 . . . . 0.0 111.368 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.8 m -74.4 -33.86 63.13 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.008 0.433 . . . . 0.0 110.212 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.97 -37.91 64.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.903 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -65.28 -41.73 93.86 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.73 91.83 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.592 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.536 ' O ' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -58.14 -39.34 78.53 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.085 0.554 . . . . 0.0 110.272 176.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.3 tp -71.84 -37.73 70.25 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.203 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.6 t -66.15 -26.59 67.5 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-O 121.978 0.894 . . . . 0.0 108.875 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.536 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 2.8 t-20 -69.14 -52.22 30.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.297 174.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.16 -31.03 69.72 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.089 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.42 -26.46 67.87 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.498 0.719 . . . . 0.0 112.07 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.8 mt -90.17 -19.49 24.18 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.438 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.1 m -97.1 -48.88 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.263 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.82 93.14 3.51 Favored Pre-proline 0 C--N 1.314 -0.959 0 CA-C-O 121.355 0.598 . . . . 0.0 110.597 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -67.19 -9.68 25.99 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.234 2.623 . . . . 0.0 113.566 -174.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -55.85 -51.2 68.36 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 176.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HD3' HG21 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -67.88 -35.12 77.96 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 113.156 -1.838 . . . . 0.0 109.932 -175.23 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 m -62.3 -51.14 68.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 123.52 0.513 . . . . 0.0 110.161 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -62.27 -42.11 99.05 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.094 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.07 69.49 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.805 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.2 m -67.73 -39.52 82.22 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.686 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.504 ' O ' HG13 ' A' ' 75' ' ' ILE . 54.5 mt-10 -64.96 -42.45 94.6 Favored 'General case' 0 C--O 1.21 -1.025 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.44 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -64.36 -39.63 94.26 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -64.31 -50.89 66.06 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.737 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.65 -37.6 84.65 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 71' ' ' GLU . 58.8 mt -53.29 -50.37 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 121.208 0.528 . . . . 0.0 109.703 175.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.498 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 91.3 mt-30 -72.23 -45.09 61.7 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.682 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.569 ' HG3' ' OE1' ' A' ' 82' ' ' GLN . 25.8 ttt -59.12 -43.22 91.93 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 123.842 0.857 . . . . 0.0 111.367 -176.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.3 -34.61 63.56 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.683 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -73.13 -30.97 64.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 76' ' ' GLN . 17.3 m-85 -84.78 1.98 44.26 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.046 0.45 . . . . 0.0 110.038 177.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.13 35.91 60.59 Favored Glycine 0 N--CA 1.437 -1.258 0 CA-C-N 115.412 -0.813 . . . . 0.0 114.256 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.569 ' OE1' ' HG3' ' A' ' 77' ' ' MET . 91.3 mt-30 -86.11 4.37 38.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.316 0.558 . . . . 0.0 110.95 179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -125.06 133.85 52.75 Favored 'General case' 0 CA--C 1.494 -1.178 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.956 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -111.99 -19.18 12.44 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -137.49 -166.71 1.99 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.858 -177.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -77.44 152.19 34.38 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 122.141 0.972 . . . . 0.0 112.473 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -102.22 113.11 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.233 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.3 m -77.66 172.06 13.98 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' O ' HG13 ' A' ' 93' ' ' ILE . 50.8 mt-10 -53.32 -48.22 68.63 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 117.754 0.252 . . . . 0.0 111.233 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -58.09 -32.68 68.31 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.484 0.49 . . . . 0.0 111.709 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.25 -41.19 47.27 Favored Glycine 0 N--CA 1.438 -1.189 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.6 tp -71.55 -31.11 66.65 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 89' ' ' GLU . 89.8 mt -61.77 -32.06 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.241 0.543 . . . . 0.0 109.77 175.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.426 ' OE2' ' HD2' ' A' ' 97' ' ' LYS . 19.6 tp10 -69.0 -33.66 74.03 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.308 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.1 mm -74.72 -41.82 47.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.76 -44.35 96.85 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.284 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.426 ' HD2' ' OE2' ' A' ' 94' ' ' GLU . 17.0 ptpt -62.74 -34.11 76.52 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 63.1 mtpt -65.5 -52.17 54.7 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 123.536 0.522 . . . . 0.0 110.47 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.46 HG21 ' HD3' ' A' ' 66' ' ' LYS . 11.2 m -67.11 -18.22 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -176.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.5 m -72.07 -20.63 61.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.539 0.685 . . . . 0.0 110.133 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -105.22 -70.15 0.79 Allowed 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -179.71 131.28 0.1 Allowed 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 126.543 1.937 . . . . 0.0 106.177 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.423 ' CG2' HG12 ' A' ' 99' ' ' VAL . 6.5 t -103.75 75.88 1.34 Allowed 'General case' 0 C--N 1.288 -2.104 0 CA-C-O 121.496 0.665 . . . . 0.0 110.531 -175.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 66.01 26.95 10.79 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.943 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.459 ' O ' ' HD3' ' A' ' 105' ' ' LYS . 12.7 tmtt? -69.66 -29.52 67.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.508 -1.223 . . . . 0.0 109.196 -175.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.7 p -82.34 -21.11 36.13 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.66 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.7 m -95.8 83.03 3.64 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 121.769 0.795 . . . . 0.0 110.348 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.9 m -125.86 141.27 52.06 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.875 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.79 148.1 5.74 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.063 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -73.94 104.21 4.72 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 176.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -82.83 87.29 6.81 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 . . . . . 0 C--N 1.297 -1.687 0 CA-C-N 115.27 -0.877 . . . . 0.0 108.979 -177.402 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.591 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.438 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 24.8 t -88.94 148.35 23.85 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 170.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.35 -48.46 46.62 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -175.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.17 -28.83 57.48 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.967 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.0 -48.88 27.17 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 124.193 0.997 . . . . 0.0 110.723 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 1' ' ' SER . 12.0 pt-20 -68.94 -26.33 65.01 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.56 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.72 -38.29 89.89 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 173.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -70.23 -48.18 58.14 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.803 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.64 -39.75 71.29 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.762 0.664 . . . . 0.0 111.027 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.91 -35.71 79.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -71.39 -30.59 66.29 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 11.4 mpt_? -67.32 -37.5 83.42 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 173.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.28 -46.22 84.6 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' HA ' ' OE1' ' A' ' 16' ' ' GLU . 5.3 mmp_? -57.01 -37.21 71.39 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 3.4 tm? -63.68 -35.79 81.72 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.93 0.892 . . . . 0.0 110.617 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 -31.24 71.94 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 120.928 0.394 . . . . 0.0 110.725 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.457 ' OE1' ' HA ' ' A' ' 13' ' ' ARG . 33.3 mt-10 -77.46 -37.95 50.39 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.01 0.91 . . . . 0.0 108.714 178.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.0 tp -63.43 -46.86 84.39 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.607 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -88.84 64.49 7.26 Favored 'General case' 0 N--CA 1.426 -1.647 0 CA-C-O 121.879 0.847 . . . . 0.0 109.819 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.8 34.13 5.28 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 113.646 -1.615 . . . . 0.0 108.412 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -60.96 147.06 44.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.661 -177.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -81.96 -19.31 40.88 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.13 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.82 15.31 61.96 Favored Glycine 0 C--N 1.312 -0.771 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.744 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -145.61 130.9 9.22 Favored Pre-proline 0 C--N 1.311 -1.089 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.03 -23.64 73.84 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.777 2.318 . . . . 0.0 113.475 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 131.33 156.61 8.53 Favored Glycine 0 N--CA 1.419 -2.479 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.02 -42.48 97.11 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 116.891 0.345 . . . . 0.0 111.593 -177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.98 -46.38 71.51 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.237 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.7 -41.86 87.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.701 -1.136 . . . . 0.0 112.134 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -54.65 -47.61 73.34 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.394 0.434 . . . . 0.0 111.623 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -61.69 -47.52 84.93 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.751 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -71.9 -38.4 69.96 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.21 -175.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.03 87.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.08 0.467 . . . . 0.0 109.92 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -65.49 -42.1 92.55 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.441 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -61.39 -33.23 73.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.163 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -67.18 -46.54 73.65 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.65 -42.83 84.26 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.674 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.05 -55.05 15.99 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.028 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -58.24 -39.76 79.97 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.461 ' HA ' ' HE1' ' A' ' 39' ' ' MET . 3.1 mmt -59.68 -47.73 84.49 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.963 0.411 . . . . 0.0 111.298 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -74.73 -55.36 5.93 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.225 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -60.01 -27.85 67.23 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -171.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 p -69.19 -50.76 44.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.85 0.357 . . . . 0.0 111.673 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.8 pt -75.57 -36.94 35.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.716 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.37 -32.48 72.4 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.162 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.05 -33.43 75.51 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.388 0.613 . . . . 0.0 110.684 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -71.14 -43.71 67.02 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.824 -178.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.42 HG13 HD12 ' A' ' 74' ' ' LEU . 21.9 t -83.16 -44.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.623 -175.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.83 130.96 42.61 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-O 121.954 0.883 . . . . 0.0 112.978 -173.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.76 155.78 22.06 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.439 170.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -50.78 -39.99 54.05 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 124.259 1.024 . . . . 0.0 110.694 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -67.88 -38.36 82.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.176 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.05 -35.46 74.27 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.792 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -73.92 -28.64 61.63 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.333 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.91 77.83 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 173.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -63.29 -42.6 99.1 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.714 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 tp -55.58 -47.88 75.73 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.175 0.99 . . . . 0.0 110.654 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m -59.11 -43.7 91.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.994 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -58.83 -43.92 90.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.317 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.12 -34.76 78.3 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.405 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.44 -29.81 70.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.227 0.537 . . . . 0.0 111.348 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.5 mt -83.22 -23.27 32.87 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.675 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.1 m -103.4 -40.98 6.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -150.68 84.03 5.63 Favored Pre-proline 0 C--O 1.245 0.822 0 CA-C-O 121.518 0.675 . . . . 0.0 111.77 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -57.84 -22.87 55.99 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 123.997 3.132 . . . . 0.0 112.827 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.36 -45.64 84.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.4 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.52 -29.93 46.79 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.68 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.1 m -62.49 -51.15 68.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -62.82 -33.02 74.35 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.894 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.87 -47.12 63.81 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.171 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.5 m -68.05 -38.93 80.63 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.825 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.957 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.566 ' O ' HG13 ' A' ' 75' ' ' ILE . 52.0 mt-10 -55.82 -51.06 68.79 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -56.04 -44.12 78.5 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 123.69 0.619 . . . . 0.0 110.308 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -65.34 -47.71 75.53 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.885 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.42 HD12 HG13 ' A' ' 47' ' ' VAL . 3.9 mm? -64.81 -37.43 87.59 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 71' ' ' GLU . 75.9 mt -54.93 -46.18 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -74.59 -37.96 62.76 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.574 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.07 -41.53 88.19 Favored 'General case' 0 C--O 1.249 1.068 0 C-N-CA 124.102 0.961 . . . . 0.0 109.488 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.03 75.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.344 176.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -66.65 -38.88 87.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.029 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -71.18 -33.26 69.82 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.47 39.41 8.33 Favored Glycine 0 CA--C 1.489 -1.562 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -93.72 10.72 31.77 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.294 -0.453 . . . . 0.0 111.878 -176.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.36 156.78 27.28 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.2 m -100.75 -60.09 1.58 Allowed 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 172.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -145.46 -157.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.597 1.159 . . . . 0.0 108.883 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -58.27 126.13 26.23 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -176.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.76 138.84 20.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 175.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.2 m -85.04 -176.2 6.09 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.062 0.458 . . . . 0.0 111.956 -176.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -56.17 -42.99 77.95 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.544 ' O ' ' HG2' ' A' ' 94' ' ' GLU . 90.0 mt-30 -56.76 -43.33 80.68 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 123.376 0.422 . . . . 0.0 112.009 -176.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.63 -40.37 98.54 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.18 -41.54 94.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.716 0.293 . . . . 0.0 110.229 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.8 mt -63.27 -31.09 51.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-O 121.15 0.5 . . . . 0.0 110.516 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 21.0 mm-40 -68.8 -45.73 70.5 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.3 mt -62.66 -37.14 78.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.321 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 48.5 tp -58.33 -37.86 75.98 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.444 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -63.39 -44.68 94.01 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -58.98 -51.36 70.41 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.066 -1.424 . . . . 0.0 110.212 -175.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.5 m -74.71 -20.02 16.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 73.1 m -68.72 -28.59 66.96 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 120.786 0.326 . . . . 0.0 111.473 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -103.29 -50.67 3.41 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.046 -0.661 . . . . 0.0 110.982 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -135.55 -94.84 0.26 Allowed 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -174.49 -47.29 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -156.03 179.94 8.74 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.7 mttp 61.96 11.94 4.54 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.5 m -76.85 109.92 11.04 Favored 'General case' 0 N--CA 1.429 -1.516 0 C-N-CA 123.087 0.555 . . . . 0.0 110.165 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.9 m -71.95 87.69 1.03 Allowed 'General case' 0 N--CA 1.435 -1.186 0 CA-C-O 122.511 1.148 . . . . 0.0 111.416 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 56.1 m -164.04 -33.18 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.423 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 25.0 t -98.61 150.29 4.99 Favored 'Isoleucine or valine' 0 C--O 1.251 1.151 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 168.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -85.37 85.58 7.43 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.547 0.689 . . . . 0.0 111.143 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.423 ' CE2' ' HB ' ' A' ' 109' ' ' VAL . 86.4 m-85 -81.75 116.95 21.68 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.854 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.293 -1.862 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.077 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.549 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.1 t -159.73 179.84 8.49 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -176.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.07 -62.34 1.43 Allowed 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 121.282 0.563 . . . . 0.0 110.047 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.28 -41.03 64.08 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.412 -174.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -59.37 -45.86 90.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.753 0.658 . . . . 0.0 111.29 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -64.49 -40.2 95.22 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 120.968 0.413 . . . . 0.0 110.086 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.7 tp -64.18 -45.42 88.45 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.962 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -75.27 -33.66 61.28 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.868 -179.342 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.56 91.18 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 174.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.57 -44.78 93.19 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.327 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.59 -44.66 89.95 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.157 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 65.8 mtt180 -57.3 -47.63 81.0 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.3 -42.36 93.14 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.975 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -64.54 -37.68 88.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.166 -0.334 . . . . 0.0 111.646 175.104 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.3 tp -70.49 -31.07 68.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.927 0.394 . . . . 0.0 109.974 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.97 -27.69 64.93 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.793 0.806 . . . . 0.0 110.114 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -82.65 -47.24 12.28 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.824 176.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -53.76 34.41 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.024 -175.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 61.72 23.22 13.59 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.434 1.094 . . . . 0.0 112.906 177.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.66 162.97 39.16 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-O 121.204 0.526 . . . . 0.0 110.092 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -134.4 70.38 1.45 Allowed 'General case' 0 C--N 1.295 -1.792 0 CA-C-O 122.035 0.921 . . . . 0.0 109.363 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -99.38 -2.67 35.65 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.277 -173.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.27 -39.29 92.07 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.73 119.21 76.08 Favored Pre-proline 0 C--N 1.313 -1.003 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.3 -56.19 0.48 Allowed 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 122.397 2.065 . . . . 0.0 112.367 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.08 -132.46 33.11 Favored Glycine 0 C--N 1.344 0.987 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -102.16 -10.47 19.6 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.85 68.25 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.382 -176.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.67 -54.79 40.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.838 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.97 -25.75 61.12 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.525 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -65.4 -37.2 86.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.191 0.519 . . . . 0.0 109.704 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -73.22 -45.71 54.54 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.737 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.96 85.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.135 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -62.82 -41.43 99.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.449 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -63.48 -41.92 98.58 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.471 ' HA ' ' HG2' ' A' ' 38' ' ' GLU . 54.7 mtt180 -63.52 -30.46 71.57 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.128 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -66.87 -49.81 64.5 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.218 0.532 . . . . 0.0 109.775 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.04 -52.81 62.44 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.904 -1.043 . . . . 0.0 111.418 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.471 ' HG2' ' HA ' ' A' ' 35' ' ' ARG . 14.0 pt-20 -63.26 -43.46 97.93 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -176.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.55 -49.2 74.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.857 0.36 . . . . 0.0 110.116 -178.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -62.51 -49.63 74.58 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.199 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -61.6 -48.13 82.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.711 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.3 m -57.18 -48.3 79.08 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 123.371 0.419 . . . . 0.0 111.944 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.4 pt -71.62 -46.73 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.164 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.873 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 94.6 mt -67.5 -27.39 66.96 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -176.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.48 -31.42 32.93 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.99 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -87.87 -44.33 11.15 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.048 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.93 -45.08 77.91 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.524 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 85.2 mt -91.13 126.81 36.33 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.769 178.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 16.1 t70 -61.23 153.07 27.22 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 173.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 28.7 tt0 -54.94 -32.29 61.19 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 123.349 0.66 . . . . 0.0 111.675 -178.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 m -78.43 -27.2 46.48 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.34 -35.59 71.23 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.625 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.438 ' HD3' ' O ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -71.67 -26.9 62.71 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.81 176.482 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.91 75.16 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -62.7 -40.54 97.47 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.906 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.88 -43.13 94.91 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 123.783 0.833 . . . . 0.0 110.484 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m -63.24 -43.69 97.32 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.07 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -62.79 -37.44 86.69 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.031 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -33.74 76.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.66 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.32 -22.78 67.09 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.673 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.5 mp -79.6 -32.47 41.88 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.022 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -87.92 -58.41 3.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -146.5 100.78 4.06 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 117.87 0.305 . . . . 0.0 110.537 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.4 -20.51 66.37 Favored 'Trans proline' 0 N--CA 1.48 0.729 0 C-N-CA 123.133 2.556 . . . . 0.0 112.507 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.75 -45.13 95.24 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 121.727 0.775 . . . . 0.0 109.06 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.83 -29.77 61.16 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.546 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -62.12 -51.62 67.15 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -66.24 -31.05 71.63 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.39 -49.8 65.61 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.73 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.12 -38.68 82.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.371 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 75' ' ' ILE . 52.0 mt-10 -59.62 -49.83 76.24 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.557 0.217 . . . . 0.0 110.672 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -57.33 -43.81 83.68 Favored 'General case' 0 C--O 1.25 1.092 0 C-N-CA 124.305 1.042 . . . . 0.0 109.606 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -62.26 -50.19 72.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.987 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.4 -40.83 97.78 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 71' ' ' GLU . 78.1 mt -57.72 -43.08 83.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.327 0.584 . . . . 0.0 109.826 177.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -51.01 27.68 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.298 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -36.83 83.34 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.05 -39.99 68.69 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.196 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -62.63 -28.38 69.86 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.331 0.395 . . . . 0.0 111.282 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -79.56 8.53 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.562 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.48 23.09 77.83 Favored Glycine 0 CA--C 1.501 -0.813 0 CA-C-O 121.298 0.388 . . . . 0.0 112.756 176.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -98.4 -7.81 28.05 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -134.77 157.5 46.57 Favored 'General case' 0 CA--C 1.494 -1.175 0 CA-C-O 120.839 0.352 . . . . 0.0 111.202 176.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.9 t -171.29 -40.31 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -85.29 167.5 15.57 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.991 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -67.96 120.74 14.71 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -174.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.47 119.91 39.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 104.94 -2.244 . . . . 0.0 104.94 168.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -83.42 178.85 7.85 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.708 -176.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -57.62 -40.33 78.92 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 122.577 0.351 . . . . 0.0 110.995 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -57.71 -34.54 69.58 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.461 0.704 . . . . 0.0 110.818 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -75.59 -45.14 18.8 Favored Glycine 0 N--CA 1.437 -1.26 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.64 -38.14 86.59 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.574 -0.313 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.499 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 89.5 mt -62.41 -36.1 73.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.94 178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 38.9 tt0 -68.88 -41.61 78.1 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.765 177.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 85.1 mt -62.87 -37.29 78.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.67 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.21 -41.53 93.22 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.391 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 95.4 mttt -58.79 -47.26 85.38 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 56.9 mtpt -60.82 -44.07 97.38 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.672 -177.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.3 m -77.92 -22.81 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.7 m -77.66 -31.27 52.52 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -72.67 -55.16 7.25 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.445 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -161.76 -82.35 0.04 OUTLIER 'General case' 0 N--CA 1.417 -2.09 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.979 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.2 p -147.84 -74.49 0.19 Allowed 'General case' 0 N--CA 1.427 -1.623 0 CA-C-O 121.822 0.82 . . . . 0.0 110.102 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -155.64 -48.43 0.08 Allowed 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm 76.8 67.58 0.05 Allowed 'General case' 0 C--O 1.243 0.718 0 CA-C-N 112.754 -2.021 . . . . 0.0 109.039 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.2 m -89.31 -65.0 1.06 Allowed 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 43.6 m -95.67 103.58 15.46 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.2 p -85.35 124.84 32.42 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.643 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.9 m -77.21 103.75 4.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.859 0.838 . . . . 0.0 111.189 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -125.88 13.27 7.92 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.361 -177.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -166.87 170.37 12.31 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 54.0 t30 . . . . . 0 C--N 1.301 -1.539 0 CA-C-O 118.659 -0.686 . . . . 0.0 109.308 179.114 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.653 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.4 m -163.4 101.44 0.94 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.28 -47.97 55.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.23 -42.12 84.54 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.432 0.634 . . . . 0.0 110.45 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.88 -43.85 91.6 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.669 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.78 -35.25 76.81 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.591 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.5 tp -62.37 -48.54 79.31 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -60.2 -35.32 75.13 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.056 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.99 -48.38 65.95 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.403 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.01 -43.72 98.24 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -57.11 -40.03 76.26 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.29 1.036 . . . . 0.0 111.379 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -80.7 -34.53 34.54 Favored 'General case' 0 C--N 1.312 -1.027 0 O-C-N 122.238 -0.289 . . . . 0.0 111.667 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -57.36 -44.02 83.99 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 124.178 0.991 . . . . 0.0 112.163 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -34.17 77.23 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.03 -0.668 . . . . 0.0 111.023 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mp -72.68 -29.31 63.31 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-O 121.181 0.515 . . . . 0.0 111.228 175.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.55 -24.66 65.56 Favored 'General case' 0 C--O 1.212 -0.917 0 C-N-CA 123.968 0.907 . . . . 0.0 111.844 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -50.97 -25.93 5.31 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.687 1.195 . . . . 0.0 113.77 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' C ' HD13 ' A' ' 17' ' ' LEU . 3.4 tm? -74.02 -57.89 3.66 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-O 121.351 0.596 . . . . 0.0 109.966 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -71.47 -40.37 70.32 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.009 -176.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.57 3.04 42.41 Favored 'General case' 0 C--N 1.29 -2.0 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -170.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 23.0 pttp -80.8 106.82 13.1 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.826 177.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -125.51 25.72 6.96 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.808 0.813 . . . . 0.0 109.025 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.39 45.92 0.74 Allowed Glycine 0 N--CA 1.433 -1.553 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -121.54 120.62 28.73 Favored Pre-proline 0 C--N 1.309 -1.192 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.04 -24.62 32.77 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 122.499 2.133 . . . . 0.0 113.057 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.95 -114.09 5.63 Favored Glycine 0 C--O 1.24 0.504 0 N-CA-C 111.556 -0.617 . . . . 0.0 111.556 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -57.91 -36.84 73.03 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 122.524 0.33 . . . . 0.0 111.193 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.0 -27.78 69.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.041 0.448 . . . . 0.0 111.5 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.34 -42.53 18.61 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 121.122 0.487 . . . . 0.0 109.844 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.531 HE21 ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -65.93 -42.36 90.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.948 -179.599 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -60.15 -39.15 85.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.382 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.92 -41.68 91.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.977 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.09 -34.88 73.7 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.519 0.676 . . . . 0.0 109.942 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -69.81 -26.42 64.24 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -69.2 -28.71 66.62 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.928 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -64.64 -44.04 91.73 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.454 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 33.1 mt-10 -58.26 -47.19 84.39 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.89 176.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.95 -56.02 27.63 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.694 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -54.58 -46.54 73.74 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -175.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -66.56 -36.85 83.67 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 123.339 0.4 . . . . 0.0 111.629 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' NH1' ' HB3' ' A' ' 36' ' ' GLU . 65.0 mtt180 -76.62 -45.17 31.16 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.482 0.658 . . . . 0.0 111.698 177.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -59.72 -31.69 69.85 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 124.373 1.069 . . . . 0.0 113.215 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.6 p -59.04 -48.16 82.62 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.8 pt -75.53 -37.98 38.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.975 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 97.1 mt -60.08 -44.74 94.57 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.369 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.2 -18.44 65.31 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.8 -25.88 16.46 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.4 m -94.94 -32.74 4.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.15 0.5 . . . . 0.0 111.42 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -91.25 129.36 37.25 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.84 156.74 19.86 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 172.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -55.48 -34.53 64.66 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 122.768 0.427 . . . . 0.0 110.736 -177.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.9 p -65.36 -46.71 79.07 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.335 0.588 . . . . 0.0 110.589 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.06 -38.84 75.89 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.662 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -64.67 -42.22 95.51 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.54 79.47 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.05 175.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -58.39 -39.93 81.0 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.762 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.2 tp -69.39 -29.19 66.89 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 121.138 0.494 . . . . 0.0 110.949 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.4 m -68.27 -38.83 82.14 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 175.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.64 -36.93 85.44 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.416 173.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.82 -35.08 78.73 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.566 176.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.78 -23.14 67.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.538 0.685 . . . . 0.0 111.03 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.8 mt -85.41 -14.37 46.46 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.097 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.2 m -113.63 -49.42 5.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -139.77 88.5 12.15 Favored Pre-proline 0 C--O 1.251 1.138 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.82 -35.93 64.89 Favored 'Trans proline' 0 CA--C 1.518 -0.306 0 C-N-CA 122.676 2.251 . . . . 0.0 111.549 -177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.9 -49.13 69.27 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.833 0.708 . . . . 0.0 110.804 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -76.02 -29.53 58.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.503 -176.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.4 m -60.87 -51.23 70.19 Favored 'General case' 0 C--O 1.224 -0.269 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -60.95 -36.37 79.18 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.565 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.38 -48.71 71.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.582 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -68.8 -37.72 77.81 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.891 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.535 ' O ' HG13 ' A' ' 75' ' ' ILE . 64.9 mt-10 -60.48 -46.21 90.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -58.26 -40.47 81.93 Favored 'General case' 0 C--O 1.245 0.866 0 C-N-CA 124.199 1.0 . . . . 0.0 109.611 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -65.28 -48.01 74.69 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.237 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.56 -38.11 88.78 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 71' ' ' GLU . 91.1 mt -57.06 -41.13 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 121.15 0.5 . . . . 0.0 110.299 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -75.44 -51.89 12.0 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.267 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.5 tpp -63.46 -32.13 73.48 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -174.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.45 -37.63 67.98 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 120.8 0.333 . . . . 0.0 110.949 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -73.07 -11.03 60.4 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -80.76 -5.92 57.79 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 120.991 0.424 . . . . 0.0 110.818 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.36 12.6 84.11 Favored Glycine 0 CA--C 1.506 -0.484 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.617 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -85.52 -24.65 27.21 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 121.869 0.843 . . . . 0.0 109.04 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.63 102.18 14.86 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.082 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 t -150.6 27.92 0.72 Allowed 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 104.759 -2.311 . . . . 0.0 104.759 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -153.2 162.38 41.37 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 112.902 -1.954 . . . . 0.0 105.756 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -93.1 138.35 31.63 Favored 'General case' 0 C--N 1.275 -2.634 0 O-C-N 123.974 0.796 . . . . 0.0 110.573 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.0 t -93.9 117.24 37.04 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.178 0 N-CA-C 106.541 -1.652 . . . . 0.0 106.541 172.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.6 m -89.99 -173.82 4.01 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 93' ' ' ILE . 38.6 mt-10 -59.24 -44.04 92.36 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 122.795 0.438 . . . . 0.0 112.05 -173.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 94' ' ' GLU . 10.3 tt0 -61.4 -45.17 95.48 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 123.249 0.343 . . . . 0.0 110.761 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.73 -38.65 96.5 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.12 -44.39 96.75 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 89' ' ' GLU . 91.1 mt -64.17 -34.76 70.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.202 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 37.9 mm-40 -62.34 -49.94 73.6 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.77 -38.35 82.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.432 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.51 -41.81 86.25 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 123.264 0.625 . . . . 0.0 110.485 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 101' ' ' GLN . 54.9 mtmt -68.52 -41.47 79.88 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.526 176.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.515 ' HA ' ' OE1' ' A' ' 101' ' ' GLN . 28.3 mtpp -60.71 -40.8 93.65 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.031 0.532 . . . . 0.0 112.181 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.4 m -76.72 -18.39 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 121.229 0.538 . . . . 0.0 111.378 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.7 m -79.13 -24.37 43.4 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-O 121.22 0.533 . . . . 0.0 109.807 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.515 ' OE1' ' HA ' ' A' ' 98' ' ' LYS . 88.8 mt-30 -66.74 -68.76 0.35 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 176.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -143.84 -79.98 0.2 Allowed 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.2 m -128.62 -46.06 1.31 Allowed 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 103.01 -2.959 . . . . 0.0 103.01 172.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -167.97 147.85 4.89 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 113.277 -1.783 . . . . 0.0 107.519 166.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.525 ' O ' HG22 ' A' ' 106' ' ' THR . 54.8 tttp -137.37 167.53 21.43 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 171.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 105' ' ' LYS 0.282 1.3 t 92.31 137.01 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 128.097 2.559 . . . . 0.0 112.175 179.004 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.0 t -135.53 -0.27 2.67 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 113.956 -1.475 . . . . 0.0 107.726 174.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.408 HG23 ' OG1' ' A' ' 106' ' ' THR . 7.4 t -84.85 -33.14 22.93 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.926 -177.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.5 p -107.74 88.79 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.261 0 CA-C-O 122.662 1.22 . . . . 0.0 111.976 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -101.93 -31.45 10.68 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 114.023 -1.444 . . . . 0.0 107.29 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 39.0 t80 68.74 7.82 6.37 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.614 1.566 . . . . 0.0 112.959 171.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.304 -1.394 0 O-C-N 121.87 -0.519 . . . . 0.0 110.815 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.583 0 N-CA-C 111.466 -0.653 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.45 ' HB3' ' HB2' ' A' ' 4' ' ' GLU . 67.6 m -76.17 84.25 2.99 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -176.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.96 -54.77 5.7 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -78.09 -40.27 38.89 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.105 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.45 ' HB2' ' HB3' ' A' ' 1' ' ' SER . 2.3 mp0 -65.12 -42.07 94.28 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.82 -176.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.419 ' HG3' ' CB ' ' A' ' 1' ' ' SER . 46.9 mt-10 -72.98 -27.48 61.84 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.389 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.63 -52.95 54.72 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.63 -43.68 76.39 Favored 'General case' 0 C--O 1.222 -0.365 0 O-C-N 123.718 0.636 . . . . 0.0 111.296 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.66 -56.61 18.34 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.625 0.578 . . . . 0.0 111.189 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.5 tp -63.65 -41.26 98.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.769 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -56.07 -47.95 76.99 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 124.006 0.923 . . . . 0.0 109.855 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -74.77 -34.6 62.49 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.13 -45.03 83.87 Favored 'General case' 0 C--O 1.237 0.424 0 O-C-N 123.516 0.51 . . . . 0.0 110.58 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -79.39 -46.32 17.82 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.024 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.38 -32.94 74.5 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.2 -27.25 67.1 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.016 0.436 . . . . 0.0 111.391 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.37 -33.45 42.89 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -71.6 -42.05 68.19 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 72.1 -58.33 0.59 Allowed 'General case' 0 C--O 1.242 0.683 0 C-N-CA 126.822 2.049 . . . . 0.0 113.148 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.46 81.16 2.5 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -173.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -87.89 93.49 9.48 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . 0.296 9.2 p-80 -85.75 81.63 8.52 Favored 'General case' 0 CA--C 1.502 -0.88 0 CA-C-O 122.732 1.253 . . . . 0.0 111.463 -178.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.66 88.71 0.1 Allowed Glycine 0 N--CA 1.404 -3.486 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -130.83 141.2 41.12 Favored Pre-proline 0 C--N 1.29 -2.007 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -85.03 14.46 2.47 Favored 'Trans proline' 0 C--N 1.329 -0.476 0 C-N-CA 122.803 2.335 . . . . 0.0 113.522 -177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.522 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -111.36 -79.45 1.01 Allowed Glycine 0 N--CA 1.428 -1.857 0 C-N-CA 119.906 -1.14 . . . . 0.0 111.846 -178.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.452 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 27.0 t70 -68.35 -50.7 51.39 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 123.185 0.594 . . . . 0.0 110.411 -176.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.29 -26.67 67.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.416 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.6 55.45 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 120.88 0.371 . . . . 0.0 110.388 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 25' ' ' GLY . 12.6 mm100 -69.2 -46.78 66.6 Favored 'General case' 0 C--O 1.248 1.021 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.496 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 14.6 mm-40 -58.09 -45.41 87.24 Favored 'General case' 0 C--O 1.206 -1.227 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.137 -176.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -61.54 -27.15 68.41 Favored 'General case' 0 C--O 1.246 0.902 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.55 -45.07 16.43 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -63.93 -32.87 74.55 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.663 0.744 . . . . 0.0 109.653 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.542 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 30.1 t-80 -51.75 -55.51 19.29 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 126.02 1.728 . . . . 0.0 108.892 178.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -70.84 -28.79 64.86 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.712 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -63.79 -43.25 96.88 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 120.86 0.362 . . . . 0.0 110.773 176.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.24 74.82 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.971 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 34' ' ' HIS . 43.8 mt-10 -56.78 -47.31 80.45 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.337 -178.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 52.9 ttm -57.39 -46.72 83.13 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.779 0.674 . . . . 0.0 111.641 -177.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.0 mtp-105 -70.92 -52.22 21.31 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -57.01 -46.7 82.11 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.888 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.448 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 28.6 m -67.62 -41.11 84.45 Favored 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -176.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.3 pt -72.15 -38.1 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 119.118 -1.033 . . . . 0.0 110.758 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.69 -41.11 98.94 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.468 176.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.65 -22.23 64.41 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 42' ' ' SER . 14.2 mm100 -87.42 -32.14 19.7 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.355 178.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.6 m -88.81 -35.78 8.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.732 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.7 mt -101.34 125.96 48.04 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -78.36 -175.36 4.19 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.468 -0.893 . . . . 0.0 108.84 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -55.55 -40.76 72.32 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -169.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 m -79.72 -31.09 41.12 Favored 'General case' 0 C--O 1.213 -0.826 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.383 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.8 -35.31 72.48 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -65.04 -42.67 94.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.911 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.11 91.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.352 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.563 ' HD3' ' OE1' ' A' ' 89' ' ' GLU . 9.5 tpt180 -64.67 -36.35 83.98 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.881 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.438 HD12 HD12 ' A' ' 59' ' ' LEU . 53.0 tp -63.81 -45.23 90.57 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.797 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.2 m -62.83 -42.75 99.86 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.547 0.689 . . . . 0.0 110.116 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -56.05 -47.01 78.7 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.692 176.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.438 HD12 HD12 ' A' ' 56' ' ' LEU . 4.5 pp -74.74 -33.01 62.27 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 121.208 0.528 . . . . 0.0 111.706 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.509 ' HA ' ' OG1' ' A' ' 67' ' ' THR . . . -59.66 -39.0 82.99 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.769 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.3 tp -72.09 -26.58 62.21 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.74 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.0 m -93.23 -46.48 13.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 120.182 -0.607 . . . . 0.0 112.303 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -141.01 87.88 10.62 Favored Pre-proline 0 C--O 1.244 0.807 0 O-C-N 122.145 -0.347 . . . . 0.0 110.119 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.422 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 36.9 Cg_endo -67.14 -10.96 30.44 Favored 'Trans proline' 0 C--O 1.245 0.835 0 C-N-CA 122.692 2.262 . . . . 0.0 112.769 -178.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -66.37 -45.79 78.91 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -77.96 -28.9 49.56 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.226 -177.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.509 ' OG1' ' HA ' ' A' ' 60' ' ' ALA . 2.4 m -59.09 -41.54 88.29 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.989 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 54.9 mtmt -57.72 -46.18 84.77 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.035 178.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.27 -47.38 82.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.826 0.704 . . . . 0.0 111.965 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.77 -43.6 93.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.843 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.43 ' O ' HG13 ' A' ' 75' ' ' ILE . 63.6 mt-10 -61.65 -46.06 91.38 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.85 -40.25 75.76 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.159 0.984 . . . . 0.0 110.728 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -74.09 -45.07 51.49 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.106 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.02 -43.38 95.31 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 71' ' ' GLU . 74.5 mt -56.48 -46.79 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 123.361 0.413 . . . . 0.0 110.559 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -64.49 -51.15 64.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.0 ttp -64.02 -36.57 84.43 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.031 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.3 82.91 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.92 0.39 . . . . 0.0 110.193 175.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -62.02 -39.31 91.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.775 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -72.64 -11.42 60.63 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.354 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.3 31.46 46.66 Favored Glycine 0 N--CA 1.437 -1.294 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.324 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -85.1 -8.79 58.49 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.856 0.36 . . . . 0.0 111.515 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -89.39 152.4 21.52 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.24 1.019 . . . . 0.0 113.166 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 20.5 t -169.56 121.21 0.71 Allowed 'General case' 0 N--CA 1.386 -3.64 0 N-CA-C 100.913 -3.736 . . . . 0.0 100.913 177.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 84' ' ' SER . 2.6 mp0 78.03 175.02 0.17 Allowed 'General case' 0 C--N 1.303 -1.423 0 O-C-N 125.105 1.503 . . . . 0.0 108.559 -174.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.89 162.28 13.81 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.81 -0.556 . . . . 0.0 110.624 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.6 t -99.5 132.52 44.8 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 175.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.3 m -89.56 178.02 6.4 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.563 ' OE1' ' HD3' ' A' ' 55' ' ' ARG . 44.7 mt-10 -57.17 -48.4 78.82 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.572 0.349 . . . . 0.0 111.476 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -61.33 -34.29 75.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.362 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.15 -40.19 88.15 Favored Glycine 0 N--CA 1.451 -0.317 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.0 tp -66.9 -37.88 85.22 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 99.1 mt -67.19 -33.23 61.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.52 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -42.05 99.59 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.0 -42.26 82.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.046 175.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.4 tp -55.63 -38.54 69.64 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.704 0.802 . . . . 0.0 110.73 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -59.55 -53.77 54.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.541 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.447 ' HD3' ' HA ' ' A' ' 104' ' ' GLU . 4.2 ptpp? -69.67 -29.85 67.38 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -175.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 32.2 m -76.39 -21.51 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.189 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.3 m -78.41 -23.56 46.66 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-O 121.618 0.723 . . . . 0.0 109.308 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -80.32 -66.24 0.91 Allowed 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.705 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -140.96 -75.39 0.32 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.888 0.851 . . . . 0.0 109.837 177.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.1 m -158.91 -56.53 0.07 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 176.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -133.76 130.36 37.93 Favored 'General case' 0 N--CA 1.408 -2.543 0 CA-C-N 113.997 -1.456 . . . . 0.0 107.998 173.644 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -141.17 132.45 26.6 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.9 t -120.46 85.66 2.43 Favored 'General case' 0 C--N 1.282 -2.342 0 CA-C-O 122.336 1.065 . . . . 0.0 108.82 175.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.1 t -101.85 129.23 48.03 Favored 'General case' 0 N--CA 1.418 -2.03 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.217 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 38.1 m -143.13 146.46 33.77 Favored 'General case' 0 C--N 1.279 -2.479 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.7 t 67.53 88.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.251 1.174 0 CA-C-O 121.821 0.82 . . . . 0.0 108.841 -172.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -167.35 -62.01 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.276 -177.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -84.11 -24.89 30.1 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.992 0.901 . . . . 0.0 109.029 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--N 1.294 -1.839 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -179.685 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.746 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.2 m 66.7 30.72 8.03 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 176.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 5' ' ' GLU . . . -71.5 -39.58 70.74 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.469 0.652 . . . . 0.0 110.975 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -78.42 -32.16 48.49 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.84 0.828 . . . . 0.0 108.855 176.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.47 -34.25 75.61 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.047 -176.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 14.1 pt-20 -64.17 -34.82 78.95 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.4 -47.43 73.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -56.73 -55.45 34.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.242 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.95 93.26 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.966 -177.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.8 tp -67.85 -41.99 82.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.497 -177.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 ttp-105 -60.25 -43.57 95.99 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -62.98 -37.96 89.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.013 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -68.09 -52.24 37.31 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.247 0.546 . . . . 0.0 110.136 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -64.67 -25.14 67.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.724 -177.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.98 -40.81 94.84 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.95 0.5 . . . . 0.0 110.032 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.35 -29.6 59.98 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.486 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -66.55 -41.1 89.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.898 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 tt -63.34 -53.19 56.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 68.07 -51.4 0.53 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.608 1.563 . . . . 0.0 114.762 173.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.24 128.9 39.03 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 123.964 0.905 . . . . 0.0 111.781 -176.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -122.9 71.71 1.06 Allowed 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -143.57 12.99 1.73 Allowed 'General case' 0 C--N 1.283 -2.293 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 169.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.41 -3.93 61.13 Favored Glycine 0 CA--C 1.503 -0.693 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.549 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -97.53 141.73 23.45 Favored Pre-proline 0 C--N 1.305 -1.366 0 C-N-CA 123.537 0.735 . . . . 0.0 109.368 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -75.63 -8.84 19.63 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.449 2.099 . . . . 0.0 111.046 173.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.09 -125.82 19.27 Favored Glycine 0 N--CA 1.438 -1.194 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.536 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.58 -41.58 77.2 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 123.387 0.675 . . . . 0.0 111.469 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.27 -43.47 92.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.772 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.49 -49.0 62.97 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.125 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -58.83 -43.12 90.59 Favored 'General case' 0 CA--C 1.516 -0.339 0 O-C-N 124.168 0.918 . . . . 0.0 111.045 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -57.65 -57.79 11.19 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.376 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.44 -31.91 71.55 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.65 76.21 Favored 'General case' 0 C--O 1.211 -0.971 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 24.4 tptp -68.14 -35.89 78.8 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 121.273 0.559 . . . . 0.0 110.078 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.49 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 15.2 t-160 -56.41 -52.51 64.38 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 123.909 0.884 . . . . 0.0 108.915 174.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.04 -25.76 61.06 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.107 -178.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 33' ' ' LYS . 2.4 tm-20 -59.72 -50.31 74.35 Favored 'General case' 0 C--N 1.312 -1.05 0 C-N-CA 124.923 1.289 . . . . 0.0 108.093 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.83 82.47 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.709 176.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 34' ' ' HIS . 43.3 mt-10 -57.98 -47.31 83.37 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 123.387 0.43 . . . . 0.0 110.339 177.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.427 ' O ' HG12 ' A' ' 43' ' ' ILE . 90.7 mtp -59.38 -50.12 75.18 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 123.833 0.708 . . . . 0.0 111.371 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -56.82 -51.28 69.6 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 121.413 0.625 . . . . 0.0 110.471 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.33 -48.15 82.65 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.524 -176.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.0 p -69.1 -41.12 77.89 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 39' ' ' MET . 28.6 pt -66.67 -40.09 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 C-N-CA 119.664 -0.814 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.18 -43.44 82.19 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 121.285 -0.166 . . . . 0.0 110.706 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.64 -24.51 67.61 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -96.46 -35.63 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.063 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.409 HG11 ' O ' ' A' ' 43' ' ' ILE . 10.8 p -75.33 -30.83 23.07 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.007 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.633 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.8 mt -106.46 126.24 52.0 Favored 'General case' 0 N--CA 1.421 -1.883 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 177.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -66.15 161.63 21.51 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 173.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -48.36 -37.08 15.85 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 124.151 0.98 . . . . 0.0 110.767 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.566 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 22.8 p -66.83 -48.28 69.39 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.058 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.11 -35.7 78.57 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.387 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -59.58 -40.2 86.61 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.514 0.326 . . . . 0.0 110.445 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.47 92.43 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.198 0.523 . . . . 0.0 110.211 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HD3' ' O ' ' A' ' 51' ' ' SER . 5.8 mpt_? -67.34 -39.49 85.81 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.926 178.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.25 -38.02 89.54 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.079 0.466 . . . . 0.0 109.885 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.7 t -66.62 -45.34 79.42 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.634 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -57.46 -51.41 69.56 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.679 0.392 . . . . 0.0 110.87 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.2 -32.6 72.37 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.351 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.2 -33.24 74.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.184 0.516 . . . . 0.0 110.978 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.63 -30.06 56.71 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.115 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 m -89.51 -59.29 2.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 C-N-CA 120.406 -0.518 . . . . 0.0 112.184 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -141.78 97.26 6.58 Favored Pre-proline 0 C--N 1.321 -0.649 0 O-C-N 121.982 -0.449 . . . . 0.0 111.154 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.434 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 18.5 Cg_exo -64.76 -10.38 24.66 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 123.122 2.548 . . . . 0.0 111.221 177.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -51.93 -56.32 14.85 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 126.141 1.776 . . . . 0.0 108.828 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 66' ' ' LYS . 42.5 mmtm -79.02 -29.88 43.87 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.757 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.434 ' OG1' ' HA ' ' A' ' 64' ' ' PRO . 4.3 m -57.62 -47.91 80.89 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.173 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 49.3 mtmt -61.63 -31.68 71.78 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.054 0.454 . . . . 0.0 110.904 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.33 -50.49 38.67 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.239 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.1 m -67.15 -39.15 82.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.942 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -56.4 -48.53 76.73 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 117.798 0.272 . . . . 0.0 110.557 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.26 -41.65 76.16 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.438 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -67.78 -48.15 67.15 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.862 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.27 -38.47 87.88 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.73 -43.68 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.46 -45.36 76.21 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.217 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.3 ttt -59.49 -42.8 92.94 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 121.222 0.534 . . . . 0.0 110.732 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.64 -31.43 66.84 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.187 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -64.74 -31.86 73.28 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.357 0.599 . . . . 0.0 109.387 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -75.03 -25.34 58.66 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.438 176.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.0 29.25 74.35 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -102.33 16.79 25.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.011 0.434 . . . . 0.0 111.82 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.35 118.69 24.38 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 176.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 m -84.96 -39.93 17.55 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 121.488 0.661 . . . . 0.0 109.399 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -124.77 179.84 4.82 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -81.54 145.15 30.82 Favored 'General case' 0 N--CA 1.409 -2.484 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 170.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.2 t -69.18 126.19 28.7 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.335 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.4 p -78.45 176.7 9.13 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.766 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 93' ' ' ILE . 43.5 mt-10 -59.85 -48.41 81.79 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 174.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 19.8 mp0 -60.13 -45.06 94.31 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.093 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.32 -41.24 99.75 Favored Glycine 0 N--CA 1.45 -0.43 0 O-C-N 123.694 0.621 . . . . 0.0 112.509 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.7 tp -65.91 -37.81 87.07 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-O 120.907 0.384 . . . . 0.0 110.013 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 89' ' ' GLU . 98.1 mt -66.32 -29.67 47.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.379 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 36.8 mt-10 -68.7 -36.58 78.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.368 0.604 . . . . 0.0 110.009 174.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 72.4 mt -70.92 -35.88 61.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.709 0.766 . . . . 0.0 109.157 176.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.8 tp -64.28 -43.35 95.07 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.929 178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -69.4 -34.75 74.96 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.03 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 95' ' ' ILE . 21.3 ptmt -68.78 -36.9 78.87 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 119.991 -0.684 . . . . 0.0 110.506 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.7 m -82.6 -18.94 10.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.914 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 t -60.94 -39.16 88.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.826 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -100.21 -47.07 5.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.626 0.727 . . . . 0.0 110.233 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -130.01 -120.92 0.22 Allowed 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.213 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.9 m -162.58 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -169.02 134.16 1.56 Allowed 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt 166.55 -55.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 126.602 1.961 . . . . 0.0 107.883 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.8 p -136.17 83.82 2.04 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 96.2 m -81.03 86.24 6.16 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-O 122.779 1.276 . . . . 0.0 113.133 -175.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.1 m -148.4 105.04 3.56 Favored 'General case' 0 N--CA 1.419 -2.018 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 171.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.3 t -81.2 114.15 21.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.872 -171.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -112.05 104.58 12.84 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.596 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -88.77 83.71 6.69 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 . . . . . 0 C--N 1.301 -1.516 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -178.658 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.412 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.6 m -85.42 90.68 8.01 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.33 -51.89 56.2 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -172.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.3 -38.98 92.96 Favored 'General case' 0 C--N 1.316 -0.849 0 O-C-N 123.63 0.581 . . . . 0.0 111.867 -176.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.07 -46.97 72.7 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.253 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.34 -34.78 78.74 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.379 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.85 -43.49 75.34 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 35.4 tt0 -62.09 -40.3 95.4 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.02 88.32 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.7 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.97 -45.67 80.87 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -59.39 -47.71 84.41 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.686 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 61.4 mtt-85 -57.43 -41.23 80.03 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.913 0.485 . . . . 0.0 110.917 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.98 -37.77 66.92 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.031 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.509 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -70.33 -36.27 74.15 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.285 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.89 -31.34 72.37 Favored 'General case' 0 CA--C 1.502 -0.885 0 C-N-CA 123.233 0.613 . . . . 0.0 111.61 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.08 68.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.559 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' HG3' ' NH2' ' A' ' 13' ' ' ARG . 26.7 mm-40 -80.98 -25.17 37.5 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.33 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -82.82 -60.64 2.1 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -176.97 -0.12 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.224 0 C-N-CA 124.558 1.143 . . . . 0.0 112.905 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 65.1 -168.75 0.21 Allowed 'General case' 0 C--O 1.243 0.746 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -170.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -94.82 134.05 37.86 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.221 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -101.15 81.74 2.27 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 121.402 0.62 . . . . 0.0 111.262 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.08 41.74 2.08 Favored Glycine 0 N--CA 1.432 -1.626 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -118.02 157.61 48.15 Favored Pre-proline 0 C--N 1.304 -1.374 0 CA-C-N 114.181 -1.01 . . . . 0.0 108.747 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -83.58 1.32 9.0 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.398 2.065 . . . . 0.0 112.758 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.83 110.39 3.1 Favored Glycine 0 N--CA 1.439 -1.128 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.563 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 30.8 t70 72.23 -50.63 0.7 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.062 1.345 . . . . 0.0 112.991 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.2 -23.91 50.93 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.69 0.796 . . . . 0.0 112.183 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.61 -27.51 67.76 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 9.7 pt20 -75.14 -31.28 61.03 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 119.587 -0.845 . . . . 0.0 108.971 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -66.68 -40.05 88.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -57.48 -55.02 40.18 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 123.945 0.778 . . . . 0.0 109.701 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.11 95.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.092 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.78 -35.6 78.97 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.708 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -66.78 -35.2 79.52 Favored 'General case' 0 C--O 1.211 -0.962 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.0 mtp85 -67.39 -37.7 83.52 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.703 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -66.87 -54.25 24.16 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.897 176.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.78 -33.51 73.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.377 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.07 -49.61 77.24 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 60.2 ttp -84.67 -50.65 7.45 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.379 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 19.9 ttm180 -62.15 -51.49 67.65 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.521 0.728 . . . . 0.0 112.009 -172.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -63.98 -35.39 80.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.29 -176.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.59 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 29.1 m -71.63 -50.12 33.69 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 -178.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.438 ' O ' HG22 ' A' ' 47' ' ' VAL . 26.9 pt -62.87 -38.5 82.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.94 -178.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 94.7 mt -63.48 -38.74 92.3 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 120.983 0.42 . . . . 0.0 110.517 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.89 -18.75 62.66 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.917 0.389 . . . . 0.0 111.798 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -95.04 -34.23 12.4 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.661 -179.166 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 43' ' ' ILE . 34.9 m -96.27 -10.62 8.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.1 mt -112.6 129.98 56.19 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 121.352 0.596 . . . . 0.0 110.95 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.16 155.39 38.44 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 174.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -54.1 -31.64 52.54 Favored 'General case' 0 C--N 1.307 -1.275 0 C-N-CA 123.294 0.638 . . . . 0.0 111.541 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.412 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 30.6 p -64.59 -46.26 83.46 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.472 0.654 . . . . 0.0 110.205 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.49 81.09 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.541 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -69.46 -31.18 69.31 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.003 0.43 . . . . 0.0 111.323 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.22 -45.78 65.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 173.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.488 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -56.8 -44.35 81.86 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.375 0.67 . . . . 0.0 110.022 176.505 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.61 -42.23 87.7 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 124.767 1.227 . . . . 0.0 110.668 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 t -66.5 -41.64 88.6 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.928 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -66.1 -28.95 69.21 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.317 0.579 . . . . 0.0 110.954 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -34.59 69.31 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 123.726 0.81 . . . . 0.0 109.51 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.05 65.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.132 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.53 -16.58 60.82 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.0 m -101.88 -53.72 7.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 119.689 -0.805 . . . . 0.0 112.512 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -151.05 101.7 3.01 Favored Pre-proline 0 CA--C 1.508 -0.647 0 C-N-CA 123.024 0.53 . . . . 0.0 110.006 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -60.75 -22.79 74.59 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.178 2.585 . . . . 0.0 111.889 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -34.16 77.2 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.849 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -80.01 -30.39 39.58 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 119.466 -0.893 . . . . 0.0 109.231 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m -59.99 -51.17 70.79 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.548 0.739 . . . . 0.0 109.929 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -64.83 -30.83 71.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.089 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.13 -43.49 70.86 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.875 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.09 -40.53 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.996 177.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.494 ' O ' HG13 ' A' ' 75' ' ' ILE . 48.2 mt-10 -56.79 -45.41 82.19 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 176.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -58.66 -41.69 86.66 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 123.58 0.752 . . . . 0.0 110.929 178.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -65.36 -43.97 89.13 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.838 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.45 -37.34 85.53 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.244 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 71' ' ' GLU . 81.0 mt -54.49 -50.26 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 174.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.63 -47.44 81.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.639 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.4 ttt -61.29 -41.87 97.69 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 123.572 0.749 . . . . 0.0 110.613 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.18 -32.78 67.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.355 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -63.06 -38.94 93.19 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.752 0.821 . . . . 0.0 109.78 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -68.31 -42.14 79.82 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.549 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.34 28.91 34.86 Favored Glycine 0 CA--C 1.48 -2.142 0 C-N-CA 119.413 -1.375 . . . . 0.0 110.528 174.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -78.69 -12.8 60.04 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.737 -0.731 . . . . 0.0 109.232 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -141.9 163.3 33.26 Favored 'General case' 0 N--CA 1.42 -1.937 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.601 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.7 m -138.25 10.92 2.79 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 174.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -95.54 162.66 13.55 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 114.122 -1.399 . . . . 0.0 110.115 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.522 ' HD2' ' N ' ' A' ' 86' ' ' LYS . 10.1 mptt -100.0 117.29 33.97 Favored 'General case' 0 N--CA 1.409 -2.487 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -178.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.2 t -80.26 136.23 23.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.9 m -92.26 -173.84 3.55 Favored 'General case' 0 C--O 1.249 1.045 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.458 ' O ' HG13 ' A' ' 93' ' ' ILE . 30.3 mt-10 -57.43 -48.12 79.97 Favored 'General case' 0 C--O 1.213 -0.841 0 C-N-CA 123.121 0.569 . . . . 0.0 111.537 -175.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -57.66 -41.87 82.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.515 0.509 . . . . 0.0 112.261 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.09 -39.74 88.56 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.2 tp -65.35 -36.23 83.37 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 120.836 0.35 . . . . 0.0 110.329 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 89' ' ' GLU . 90.2 mt -62.37 -37.07 77.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.574 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.92 -36.47 83.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.415 0.626 . . . . 0.0 109.706 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 83.1 mt -66.71 -38.87 82.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.574 176.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.6 -41.37 98.93 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.203 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.452 ' HE2' ' HA ' ' A' ' 97' ' ' LYS . 8.1 mmpt? -63.73 -44.78 92.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.891 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -71.31 -21.41 62.07 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.76 -2.99 9.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 C-N-CA 119.448 -0.901 . . . . 0.0 112.369 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.9 m -50.17 -43.02 52.05 Favored 'General case' 0 N--CA 1.444 -0.727 0 O-C-N 123.329 0.393 . . . . 0.0 110.984 175.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -104.92 -72.63 0.7 Allowed 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.15 144.66 0.05 Allowed 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 124.837 1.255 . . . . 0.0 109.459 173.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.5 m -131.28 -91.21 0.43 Allowed 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.668 170.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -89.47 64.13 6.61 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-O 121.201 0.524 . . . . 0.0 110.106 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.57 ' NZ ' ' HB3' ' A' ' 105' ' ' LYS . 0.1 OUTLIER 175.92 140.39 0.06 Allowed 'General case' 0 CA--C 1.496 -1.133 0 C-N-CA 125.835 1.654 . . . . 0.0 109.515 179.582 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 m -94.78 121.41 36.34 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.101 0.477 . . . . 0.0 111.919 -173.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 93.9 m -115.98 131.08 57.04 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 172.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.4 m -54.89 -65.01 0.65 Allowed 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -174.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.28 164.03 22.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -175.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -97.8 132.15 43.66 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -100.89 55.64 0.86 Allowed 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 122.569 1.176 . . . . 0.0 107.908 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 N--CA 1.424 -1.761 0 CA-C-N 114.236 -1.347 . . . . 0.0 107.534 -177.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.379 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 30.6 p -134.76 30.45 3.42 Favored 'General case' 0 C--N 1.289 -2.026 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.33 -41.46 63.02 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -175.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -70.79 -40.66 72.44 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.691 0.758 . . . . 0.0 108.987 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -67.46 -35.87 80.05 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.435 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 1' ' ' SER . 75.0 mm-40 -63.6 -40.62 97.4 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 123.294 0.638 . . . . 0.0 109.357 176.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.3 -43.68 93.97 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.647 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -58.15 -47.14 84.26 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.8 92.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.752 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.6 tp -62.34 -42.47 99.41 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.337 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -60.46 -41.61 94.48 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 124.731 1.212 . . . . 0.0 110.577 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -78.22 -29.89 48.55 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.21 -42.2 93.7 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 173.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.56 -37.31 72.91 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.812 0.845 . . . . 0.0 108.995 176.637 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -63.1 -37.36 86.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.822 178.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.66 81.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -64.93 -39.62 93.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.809 176.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.28 -31.57 72.82 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 123.607 0.763 . . . . 0.0 109.195 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -85.64 -5.31 59.28 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.749 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 65.84 18.87 11.24 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.943 1.297 . . . . 0.0 111.731 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HG3' ' H ' ' A' ' 21' ' ' HIS 0.286 9.5 ptpp? 47.52 -79.02 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.134 1.773 . . . . 0.0 114.274 -176.818 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.405 ' H ' ' HG3' ' A' ' 20' ' ' LYS . 30.2 t-80 -169.15 27.4 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.38 77.01 0.5 Allowed Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.198 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -93.35 145.6 30.31 Favored Pre-proline 0 C--N 1.302 -1.467 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.132 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -93.3 44.57 0.3 Allowed 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 123.48 2.786 . . . . 0.0 111.532 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.43 -164.19 7.34 Favored Glycine 0 C--O 1.244 0.748 0 CA-C-N 115.867 -0.606 . . . . 0.0 113.446 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.79 -31.78 72.64 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 122.401 -0.47 . . . . 0.0 111.748 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.31 -44.67 78.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.594 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.67 98.7 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -68.94 -25.63 64.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.686 178.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.55 -47.42 60.4 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -69.37 -32.14 71.0 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 176.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.72 -50.93 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HZ1' ' CD ' ' A' ' 71' ' ' GLU . 56.5 tptt -59.38 -42.76 92.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.046 176.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.497 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 12.0 t-160 -54.84 -50.2 69.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.968 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -74.17 -24.97 59.47 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.215 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -72.48 -32.05 65.91 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.666 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.77 -48.62 20.97 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.971 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 34' ' ' HIS . 9.0 mm-40 -53.28 -47.34 69.23 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -176.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 97.2 mmm -67.63 -38.57 84.08 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.945 0.402 . . . . 0.0 111.809 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.433 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 80.7 mtt85 -74.81 -29.3 61.04 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.715 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -57.37 -29.85 64.39 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 123.553 0.741 . . . . 0.0 110.862 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -55.61 -49.95 71.44 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.842 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.1 pt -76.78 -38.26 29.43 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.573 177.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 91.1 mt -59.86 -40.27 88.04 Favored 'General case' 0 C--O 1.2 -1.527 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.53 -26.04 67.71 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -96.38 -19.26 19.34 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 121.468 0.652 . . . . 0.0 111.364 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.6 t -93.85 -44.66 13.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.268 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.3 mt -90.67 131.78 36.16 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.52 160.23 19.87 Favored 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 171.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -58.56 -34.09 70.65 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 122.421 0.288 . . . . 0.0 111.264 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 m -67.7 -34.21 76.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.91 69.62 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.464 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -44.76 96.29 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 120.822 0.344 . . . . 0.0 111.072 176.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.11 97.69 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.775 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -63.99 -41.3 97.55 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.66 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -49.12 78.47 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.453 1.101 . . . . 0.0 108.367 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.2 t -64.27 -29.82 70.9 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.161 -178.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -63.5 -40.68 97.72 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.729 0.299 . . . . 0.0 110.454 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.38 -32.19 66.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.348 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.54 78.19 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.623 0.725 . . . . 0.0 110.547 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.58 -24.01 62.69 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.97 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.2 m -97.7 -51.66 10.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 119.496 -0.882 . . . . 0.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -148.63 108.25 3.54 Favored Pre-proline 0 N--CA 1.466 0.357 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.95 -20.54 44.79 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.73 2.287 . . . . 0.0 112.003 -175.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.63 -35.64 78.48 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.857 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -79.99 -30.19 39.65 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.829 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 m -62.85 -51.99 64.88 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.357 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -60.58 -30.9 70.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.351 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.5 -49.05 62.56 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.473 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.57 -40.17 87.28 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 C-N-CA 119.834 -0.746 . . . . 0.0 111.458 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.441 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 41.8 mt-10 -52.94 -50.44 64.02 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.969 0.507 . . . . 0.0 110.615 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -62.48 -41.7 98.97 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.676 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -64.98 -36.98 86.13 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.284 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.75 -37.01 86.14 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.808 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 71' ' ' GLU . 64.8 mt -56.37 -48.18 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 175.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -62.21 -43.94 97.7 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.95 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.4 tpt -59.1 -45.4 90.96 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 122.896 0.478 . . . . 0.0 110.149 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.92 -37.17 85.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.523 0.678 . . . . 0.0 110.561 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -64.92 -40.15 94.62 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.618 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -72.92 -29.56 63.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.06 0.457 . . . . 0.0 110.287 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.69 34.89 37.76 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.73 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -94.88 19.09 10.7 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.107 0.479 . . . . 0.0 110.901 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -85.6 119.88 26.42 Favored 'General case' 0 CA--C 1.496 -1.107 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.195 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.5 m -100.01 -26.83 13.85 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 175.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -153.57 -166.83 2.51 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 125.382 1.473 . . . . 0.0 108.011 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.22 154.98 32.51 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 172.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.7 t -80.88 114.9 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.111 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 172.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 p -80.07 -179.72 7.17 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.607 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.442 ' O ' HG13 ' A' ' 93' ' ' ILE . 44.5 mt-10 -64.22 -44.77 90.86 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.408 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -61.33 -35.07 76.38 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.936 0.398 . . . . 0.0 110.703 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.3 -41.19 79.63 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.8 tp -66.33 -37.9 86.42 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.694 -0.253 . . . . 0.0 110.591 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 89' ' ' GLU . 97.8 mt -63.64 -35.47 72.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 122.532 0.333 . . . . 0.0 110.162 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.33 -43.95 96.3 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.96 -41.07 91.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.046 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 43.8 tp -62.27 -42.2 99.14 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.302 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.432 ' HZ1' ' HB3' ' A' ' 97' ' ' LYS . 3.3 mmmp? -62.44 -32.61 73.5 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 122.671 0.388 . . . . 0.0 111.49 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.477 ' HB3' ' HA ' ' A' ' 104' ' ' GLU . 99.3 mttt -66.68 -56.22 11.59 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.65 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.1 m -75.64 -17.71 15.67 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.568 -175.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.0 t -53.87 -53.63 49.84 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 123.828 0.851 . . . . 0.0 110.713 175.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -89.68 -48.51 7.23 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 119.386 -0.926 . . . . 0.0 112.032 -177.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -132.25 -85.27 0.48 Allowed 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.255 0.55 . . . . 0.0 110.268 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.7 m -158.18 -46.29 0.06 Allowed 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.477 ' HA ' ' HB3' ' A' ' 98' ' ' LYS . 9.7 pt-20 -134.15 174.83 10.07 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.318 176.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -117.79 -75.02 0.58 Allowed 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -176.88 -178.12 0.83 Allowed 'General case' 0 N--CA 1.416 -2.156 0 N-CA-C 103.879 -2.637 . . . . 0.0 103.879 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.4 t -150.46 151.41 32.7 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 t -82.12 137.56 34.96 Favored 'General case' 0 N--CA 1.427 -1.586 0 CA-C-O 121.563 0.697 . . . . 0.0 110.623 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 11.9 p -124.63 22.85 3.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -62.18 -40.83 97.34 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.386 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -147.05 140.55 25.57 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.638 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 . . . . . 0 C--O 1.256 1.413 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.442 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.485 0 N-CA-C 112.233 -0.347 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.483 ' O ' ' HG3' ' A' ' 5' ' ' GLU . 19.0 m -57.62 -29.98 64.97 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.522 0.729 . . . . 0.0 112.843 -176.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.9 89.72 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 120.739 0.304 . . . . 0.0 110.926 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -73.31 -28.98 62.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.301 0.572 . . . . 0.0 109.767 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.04 -48.34 74.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.836 176.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 1' ' ' SER . 48.0 mt-10 -59.77 -38.96 83.27 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.58 -45.16 94.19 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.921 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -68.43 -35.61 77.87 Favored 'General case' 0 C--O 1.2 -1.524 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.994 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -49.9 75.91 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 90.9 mt -57.04 -48.41 78.59 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 121.566 0.698 . . . . 0.0 109.607 175.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -57.59 -49.79 75.25 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 124.663 1.185 . . . . 0.0 111.539 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -64.47 -43.63 93.58 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 123.996 0.918 . . . . 0.0 112.188 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.572 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 35.1 tt0 -66.8 -45.09 79.5 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -59.35 -41.39 89.09 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.751 0.42 . . . . 0.0 110.498 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.1 tp -58.11 -40.95 82.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.623 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.55 -39.02 62.57 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.676 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 32.8 mt-10 -67.94 -41.2 82.9 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 ' O ' HD12 ' A' ' 17' ' ' LEU . 3.0 tm? -71.66 -25.32 62.08 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 176.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 64.02 62.05 0.9 Allowed 'General case' 0 CA--C 1.505 -0.764 0 C-N-CA 126.429 1.892 . . . . 0.0 110.548 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.13 136.49 34.36 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -63.36 -65.04 0.74 Allowed 'General case' 0 C--N 1.307 -1.247 0 O-C-N 123.868 0.73 . . . . 0.0 110.058 -175.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 52.42 33.02 12.23 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 122.802 1.287 . . . . 0.0 108.155 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -96.31 65.59 1.08 Allowed Glycine 0 N--CA 1.418 -2.511 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.746 -170.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -114.59 93.03 31.13 Favored Pre-proline 0 C--N 1.285 -2.2 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 172.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -67.59 -19.29 48.45 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.257 1.971 . . . . 0.0 112.294 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.28 52.87 2.77 Favored Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.814 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 18.1 t70 62.77 -71.26 0.05 Allowed 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 125.005 1.322 . . . . 0.0 114.373 176.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.14 81.6 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.382 0.61 . . . . 0.0 111.306 -176.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' HA ' ' HG2' ' A' ' 31' ' ' GLU . . . -77.75 -25.84 49.46 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.99 -178.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 20.8 pt20 -81.0 -25.19 37.42 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.794 -0.763 . . . . 0.0 109.866 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -72.82 -38.95 66.98 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.532 ' O ' ' HD2' ' A' ' 35' ' ' ARG . 5.7 pt-20 -73.05 -26.53 61.32 Favored 'General case' 0 C--O 1.211 -0.951 0 C-N-CA 119.346 -0.942 . . . . 0.0 110.218 177.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.35 -34.29 73.64 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.361 0.6 . . . . 0.0 109.419 175.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 21.4 tptm -74.57 -22.0 59.21 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.621 176.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -81.52 -38.2 26.62 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.532 ' HD2' ' O ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -63.45 -27.5 69.33 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.238 0.615 . . . . 0.0 109.778 173.865 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.601 ' HB3' ' O ' ' A' ' 33' ' ' LYS . 2.4 tm-20 -52.56 -54.36 33.89 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 125.198 1.399 . . . . 0.0 109.486 179.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.83 -57.28 3.62 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.083 0.468 . . . . 0.0 111.646 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -60.01 -49.22 78.54 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.173 -0.922 . . . . 0.0 113.41 -170.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 72.9 mtp -70.32 -45.14 66.8 Favored 'General case' 0 CA--C 1.484 -1.562 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.891 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -58.73 -53.27 60.31 Favored 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 123.543 0.527 . . . . 0.0 112.086 -176.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -59.59 -43.7 93.59 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 123.447 0.467 . . . . 0.0 110.284 -177.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 m -66.33 -50.17 64.49 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.3 pt -74.58 -38.45 45.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 C-N-CA 119.91 -0.716 . . . . 0.0 112.343 -175.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.03 -40.3 87.19 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 122.357 -0.214 . . . . 0.0 110.752 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.24 -18.82 65.59 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 176.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -93.23 -46.39 7.42 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.971 -0.456 . . . . 0.0 111.397 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.9 t -71.92 -43.04 68.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.0 mt -92.57 131.57 37.58 Favored 'General case' 0 N--CA 1.415 -2.213 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.71 152.67 18.3 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.844 172.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -53.98 -31.37 50.61 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 123.655 0.782 . . . . 0.0 112.116 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -75.15 -34.69 61.64 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.84 -38.14 76.42 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -64.09 -43.04 96.6 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.073 176.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.5 -42.3 95.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.666 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.491 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 6.5 tpt180 -60.92 -46.52 90.33 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.2 tp -68.04 -30.07 69.21 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.461 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.2 t -64.42 -29.77 70.82 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.677 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -71.01 -39.95 72.07 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.08 -31.94 71.6 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.318 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.56 -21.93 66.65 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-O 121.295 0.569 . . . . 0.0 111.739 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.53 -35.43 22.88 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.129 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.54 -51.79 12.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.424 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -146.77 86.83 6.53 Favored Pre-proline 0 C--O 1.248 1.013 0 C-N-CA 122.464 0.306 . . . . 0.0 110.255 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -59.79 -17.93 45.96 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.537 2.158 . . . . 0.0 112.17 178.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.86 -44.16 77.81 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -78.41 -29.36 47.15 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.736 -175.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.416 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 7.5 m -59.57 -50.22 74.73 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -53.93 -46.32 71.47 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.45 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.13 -46.16 74.93 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.998 -176.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.7 m -67.57 -40.65 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 119.316 -0.953 . . . . 0.0 110.638 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.597 ' O ' HG13 ' A' ' 75' ' ' ILE . 56.2 mt-10 -63.78 -39.82 95.18 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 108' ' ' THR . 2.3 t-20 -57.89 -44.38 86.67 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.387 1.075 . . . . 0.0 110.464 175.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -66.97 -43.43 83.1 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.253 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.08 -37.41 87.33 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 71' ' ' GLU . 91.7 mt -54.85 -45.05 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -67.62 -50.85 56.1 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.024 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.449 ' HA ' ' HE1' ' A' ' 77' ' ' MET . 8.5 mmt -59.42 -36.14 75.33 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-O 120.907 0.384 . . . . 0.0 111.973 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.77 -34.39 73.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.45 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -63.86 -32.27 73.74 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -80.02 -7.53 58.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.416 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.81 40.07 89.72 Favored Glycine 0 C--O 1.225 -0.449 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -97.58 -5.58 35.32 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 122.676 -0.308 . . . . 0.0 111.546 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.14 137.09 53.84 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.751 0.786 . . . . 0.0 111.969 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.5 m -144.88 -40.02 0.25 Allowed 'General case' 0 C--N 1.282 -2.33 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -81.77 161.98 23.08 Favored 'General case' 0 N--CA 1.427 -1.612 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.517 ' HD2' ' N ' ' A' ' 86' ' ' LYS . 10.6 mptt -89.98 135.69 33.5 Favored 'General case' 0 C--N 1.288 -2.08 0 CA-C-O 121.601 0.715 . . . . 0.0 111.905 -173.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.2 t -84.47 118.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.6 p -81.29 178.95 8.07 Favored 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.405 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.491 ' OE2' ' HD3' ' A' ' 55' ' ' ARG . 30.8 mt-10 -57.74 -46.06 84.99 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 123.104 0.562 . . . . 0.0 110.657 179.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -62.06 -27.5 68.94 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.3 -42.48 11.85 Favored Glycine 0 N--CA 1.434 -1.451 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 35.1 tp -68.56 -33.87 74.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.663 0.268 . . . . 0.0 111.106 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.452 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 90.5 mt -60.03 -33.73 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.084 0.469 . . . . 0.0 110.533 176.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -68.22 -35.52 78.08 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.5 mm -69.29 -40.3 80.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.6 tp -59.22 -42.04 90.06 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.099 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 97' ' ' LYS . 11.2 mmpt? -66.35 -35.73 81.09 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.493 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -66.79 -43.65 83.36 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.627 0.727 . . . . 0.0 109.503 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.7 m -80.29 -14.23 13.0 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.843 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.3 m -69.12 -20.5 64.05 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-O 121.019 0.438 . . . . 0.0 109.987 173.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -90.7 -75.87 0.45 Allowed 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.475 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.4 ' O ' ' HB ' ' A' ' 103' ' ' THR . 44.6 mt-30 -115.08 -31.31 6.08 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -173.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 102' ' ' GLN . 93.3 m 68.46 97.3 0.06 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -168.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.92 103.56 0.37 Allowed 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 114.15 -1.387 . . . . 0.0 111.451 -171.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? 62.76 79.41 0.26 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.338 1.455 . . . . 0.0 108.599 -176.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.1 m -72.14 112.27 8.08 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 114.469 -1.241 . . . . 0.0 111.3 -173.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 98.0 m -152.8 -29.03 0.15 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 72' ' ' ASN . 31.1 m 69.68 -80.37 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.712 1.205 . . . . 0.0 110.206 -174.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.2 m -169.29 171.04 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.883 0 C-N-CA 127.3 2.24 . . . . 0.0 105.932 175.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -89.8 105.54 17.87 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -87.31 172.23 10.02 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.769 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--N 1.309 -1.16 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.739 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.446 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 3.8 m -84.78 105.43 15.56 Favored 'General case' 0 N--CA 1.422 -1.841 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.03 -41.04 11.49 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.138 0.975 . . . . 0.0 111.45 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.27 -56.49 21.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.542 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.15 -47.08 84.22 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.441 -176.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 1' ' ' SER . 10.5 pt-20 -67.85 -26.94 66.29 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -177.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.0 tp -77.17 -49.6 14.83 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -59.68 -47.22 86.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.467 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.82 87.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.864 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.54 -40.77 76.66 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -65.56 -45.16 84.39 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.974 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -62.83 -29.0 70.4 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -62.84 -42.77 99.87 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -41.3 89.99 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.2 -29.66 70.76 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.252 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.76 -30.28 62.69 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 120.865 0.364 . . . . 0.0 110.562 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -79.71 -27.98 40.61 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.324 0.583 . . . . 0.0 110.471 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.38 -33.7 76.57 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 80.79 -39.48 0.15 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.157 1.783 . . . . 0.0 113.298 176.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.44 86.13 5.16 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -81.48 -38.22 26.68 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.294 -175.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 61.8 71.16 0.55 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 113.964 -1.471 . . . . 0.0 107.849 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.94 39.64 1.63 Allowed Glycine 0 N--CA 1.438 -1.213 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.796 -176.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -105.09 176.06 1.89 Allowed Pre-proline 0 C--N 1.3 -1.554 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 176.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -50.98 -28.92 25.65 Favored 'Trans proline' 0 C--N 1.37 1.708 0 C-N-CA 122.775 2.317 . . . . 0.0 113.537 178.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.57 -24.82 4.32 Favored Glycine 0 N--CA 1.434 -1.438 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.536 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 24.6 t70 -111.66 -19.6 12.43 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 121.018 0.437 . . . . 0.0 111.716 -177.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.73 -24.44 65.37 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-O 121.467 0.651 . . . . 0.0 109.544 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.17 -45.54 72.1 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.78 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 9.1 pt20 -66.6 -35.25 79.74 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.644 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -67.94 -41.45 82.5 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.938 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -64.47 -47.93 77.16 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.566 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.7 -43.46 97.74 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.534 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.95 -39.74 83.37 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 120.929 0.395 . . . . 0.0 110.785 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -64.09 -42.08 97.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -64.91 -30.42 71.41 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.507 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.679 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 59.0 mt-10 -63.18 -59.28 4.97 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.69 93.97 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.931 -175.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -49.82 75.57 Favored 'General case' 0 C--N 1.316 -0.881 0 O-C-N 124.054 0.846 . . . . 0.0 109.068 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.9 ttt -68.23 -42.44 79.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.898 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.679 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 47.0 mtt180 -57.57 -53.6 56.33 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -65.45 -27.14 68.3 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.6 m -68.63 -38.55 80.62 Favored 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.787 174.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.7 pt -75.49 -37.44 37.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 C-N-CA 119.761 -0.776 . . . . 0.0 109.727 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 67.4 mt -58.35 -43.22 88.24 Favored 'General case' 0 C--O 1.206 -1.233 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.849 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.56 -21.07 66.14 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -89.08 -34.2 16.85 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.667 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.8 m -89.24 -31.56 5.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.1 mt -87.17 127.98 35.14 Favored 'General case' 0 CA--C 1.485 -1.528 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 15.1 t70 -76.89 175.65 9.29 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 174.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -48.33 -49.78 32.87 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 125.166 1.387 . . . . 0.0 113.971 -171.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.3 m -71.77 -42.2 67.44 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.273 -174.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.62 93.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.279 0.561 . . . . 0.0 110.23 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -62.92 -44.33 96.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.133 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.95 -36.91 83.28 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.828 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' O ' ' HB3' ' A' ' 58' ' ' ASN . 6.6 tpt180 -60.99 -51.56 68.75 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -176.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -69.85 -27.86 65.2 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 119.195 -1.002 . . . . 0.0 111.317 -177.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.8 m -60.18 -40.95 91.78 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.434 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 2.8 t-20 -61.01 -42.55 98.67 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.607 173.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.58 -35.92 66.31 Favored 'General case' 0 C--O 1.208 -1.103 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.07 -24.09 66.89 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.026 0.441 . . . . 0.0 112.151 -178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mp -99.46 -8.85 24.12 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -115.73 -43.42 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -143.33 81.84 12.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -65.92 -20.64 57.89 Favored 'Trans proline' 0 C--O 1.242 0.697 0 C-N-CA 123.043 2.495 . . . . 0.0 112.788 -173.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.5 -39.81 94.48 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.497 ' HE3' ' HA ' ' A' ' 100' ' ' SER . 69.3 mmtt -73.65 -28.63 61.88 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.104 -176.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 5.3 m -57.06 -51.51 68.99 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -64.14 -33.66 76.28 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.678 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.72 -51.47 59.06 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.511 0.507 . . . . 0.0 110.428 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.57 -37.77 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.99 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.55 ' O ' HG13 ' A' ' 75' ' ' ILE . 54.9 mt-10 -56.23 -46.82 79.41 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -65.02 -46.25 82.12 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.315 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -59.41 -41.37 89.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.811 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.5 -38.24 86.82 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.749 176.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 71' ' ' GLU . 79.4 mt -58.5 -47.91 86.93 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 175.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -60.13 -43.51 95.61 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.923 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.3 tpt -58.94 -43.93 91.31 Favored 'General case' 0 C--O 1.249 1.049 0 C-N-CA 123.381 0.672 . . . . 0.0 109.556 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.21 78.08 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.053 176.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 79' ' ' ARG . 2.2 mmp_? -65.15 -35.97 82.78 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.683 0.793 . . . . 0.0 112.592 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -75.39 -11.84 60.13 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.052 0.453 . . . . 0.0 110.621 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.13 24.06 76.81 Favored Glycine 0 CA--C 1.497 -1.063 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.725 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -102.17 9.11 40.39 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.643 0.735 . . . . 0.0 109.919 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.99 101.39 5.22 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 177.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.0 m -89.59 -41.4 12.01 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-O 120.874 0.369 . . . . 0.0 110.456 -175.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -154.02 -177.24 6.28 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 -175.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 32.4 mmtp -53.12 137.42 33.73 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 123.841 0.713 . . . . 0.0 112.518 178.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -83.0 117.5 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.347 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 173.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 m -76.18 171.79 13.91 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.784 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.54 -38.15 88.79 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -175.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -68.31 -24.62 64.86 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.305 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.39 -39.88 61.02 Favored Glycine 0 N--CA 1.44 -1.07 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.1 tp -66.43 -38.68 87.96 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.95 -36.77 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.884 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -61.44 -44.83 96.43 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.7 -48.41 84.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.826 176.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.476 ' HA ' HG21 ' A' ' 99' ' ' VAL . 26.7 tp -58.63 -39.27 80.03 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 124.659 1.184 . . . . 0.0 112.839 -175.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.01 -42.84 99.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.896 0.379 . . . . 0.0 111.751 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -71.45 -46.49 59.83 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.742 -179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.476 HG21 ' HA ' ' A' ' 96' ' ' LEU . 26.7 m -62.7 -23.83 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.955 177.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.497 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 8.7 t -64.72 -23.17 67.16 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 121.295 0.569 . . . . 0.0 109.991 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -101.06 -66.35 0.92 Allowed 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 175.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -125.93 -93.27 0.49 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.079 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.417 ' HA ' HG11 ' A' ' 99' ' ' VAL . 65.2 m -163.13 -71.78 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.051 -1.462 . . . . 0.0 107.051 177.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 155.29 115.29 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 127.496 2.318 . . . . 0.0 108.805 173.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -126.81 91.86 3.43 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 169.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.1 p -89.03 -33.67 17.08 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 114.629 -1.168 . . . . 0.0 112.227 -176.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.5 m -69.95 -34.76 73.85 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.4 m -83.9 103.4 13.13 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 115.398 -0.819 . . . . 0.0 108.825 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.35 -1.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 CA-C-O 121.299 0.571 . . . . 0.0 110.73 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -75.35 89.5 2.61 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.318 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -95.16 -30.07 14.22 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 176.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 40.3 t30 . . . . . 0 C--N 1.314 -0.975 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.425 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.3 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.5 m -88.13 35.37 0.75 Allowed 'General case' 0 C--N 1.306 -1.306 0 C-N-CA 123.416 0.687 . . . . 0.0 111.806 -176.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.78 89.73 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.169 0.509 . . . . 0.0 112.21 -176.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -78.74 -42.12 29.01 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.351 0.596 . . . . 0.0 109.673 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -55.87 -51.61 66.96 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 125.556 1.542 . . . . 0.0 111.693 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.94 -37.55 85.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.054 0.454 . . . . 0.0 110.999 -177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.4 tp -73.39 -40.91 63.96 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.981 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.32 -44.35 88.11 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.979 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.28 85.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.299 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.15 -52.83 63.9 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.24 176.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -60.25 -51.33 70.0 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.774 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -60.75 -41.16 94.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.613 -0.722 . . . . 0.0 112.035 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 30.4 tt0 -67.28 -44.11 80.11 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 120.523 -0.471 . . . . 0.0 109.913 177.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 tpt85 -65.69 -29.34 69.87 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.888 -178.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.84 -42.17 99.63 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 123.316 0.646 . . . . 0.0 109.794 176.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.35 -36.12 76.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.29 0.567 . . . . 0.0 109.731 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 13.4 mm-40 -69.58 -28.56 66.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.093 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 tt -75.19 -34.29 61.5 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 71.86 14.41 5.93 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.018 -1.446 . . . . 0.0 111.494 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -138.83 131.43 28.94 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 175.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -72.04 97.57 1.92 Allowed 'General case' 0 CA--C 1.498 -1.033 0 CA-C-O 121.965 0.888 . . . . 0.0 111.877 -177.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -136.25 83.74 2.03 Favored 'General case' 0 N--CA 1.407 -2.601 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.61 -32.21 53.48 Favored Glycine 0 C--N 1.315 -0.628 0 CA-C-N 114.647 -1.161 . . . . 0.0 114.283 -179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.59 113.14 11.53 Favored Pre-proline 0 N--CA 1.471 0.583 0 CA-C-N 117.027 0.413 . . . . 0.0 111.312 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -93.43 14.25 1.55 Allowed 'Trans proline' 0 N--CA 1.445 -1.368 0 C-N-CA 122.501 2.134 . . . . 0.0 111.949 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.21 47.82 3.72 Favored Glycine 0 N--CA 1.439 -1.111 0 CA-C-N 116.362 -0.381 . . . . 0.0 112.516 -175.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.5 t70 72.54 -31.59 0.23 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 124.884 1.273 . . . . 0.0 114.292 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.21 -23.23 13.79 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.529 1.132 . . . . 0.0 112.274 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.42 -39.99 64.78 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.439 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -78.17 -25.28 47.12 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.969 0.414 . . . . 0.0 111.073 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -66.28 -38.61 88.19 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -68.93 -30.89 69.45 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.11 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -64.9 -42.14 94.99 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -69.88 -37.03 75.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.233 0.54 . . . . 0.0 109.97 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -57.29 -44.86 84.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.904 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -71.14 -28.01 63.97 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.969 -0.692 . . . . 0.0 111.169 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 40.2 mt-10 -64.95 -46.87 79.74 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.8 -43.09 97.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.34 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.86 -41.63 67.69 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 123.939 0.895 . . . . 0.0 111.803 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 55.2 ttp -58.51 -46.18 87.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.058 0.456 . . . . 0.0 111.368 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -74.85 -39.23 61.69 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.261 0.553 . . . . 0.0 109.529 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -63.11 -32.17 73.49 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.317 -175.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.2 m -54.47 -42.74 71.02 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -173.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.9 pt -76.27 -38.59 33.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 C-N-CA 119.417 -0.913 . . . . 0.0 111.671 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.94 -44.41 85.15 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 121.02 0.438 . . . . 0.0 110.654 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.91 -29.06 70.49 Favored 'General case' 0 C--N 1.307 -1.256 0 C-N-CA 123.933 0.893 . . . . 0.0 112.851 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -89.75 -26.54 20.57 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.587 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.7 m -88.97 -27.64 5.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.309 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.9 mt -100.72 124.26 46.08 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.437 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 32.5 t70 -65.31 160.5 21.58 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 171.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -48.22 -37.08 15.09 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 124.249 1.02 . . . . 0.0 111.247 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.7 p -67.22 -51.02 58.35 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.727 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.4 -35.26 78.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.722 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.496 ' NH1' HD22 ' A' ' 56' ' ' LEU . 17.5 tpt85 -62.26 -44.91 95.46 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.29 90.52 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.279 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -59.34 -35.59 74.14 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 123.552 0.741 . . . . 0.0 111.304 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.496 HD22 ' NH1' ' A' ' 53' ' ' ARG . 50.7 tp -63.2 -41.24 99.13 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.914 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -65.34 -35.82 82.14 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -60.45 -49.17 78.62 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.945 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.441 HD11 HD12 ' A' ' 56' ' ' LEU . 4.4 pp -71.93 -37.12 70.09 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.411 0.444 . . . . 0.0 111.981 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.61 ' HA ' ' OG1' ' A' ' 67' ' ' THR . . . -54.81 -28.12 47.04 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 124.158 0.983 . . . . 0.0 112.953 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.12 -13.46 30.69 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -115.42 -26.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.318 -0.553 . . . . 0.0 112.414 -177.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -144.56 73.71 15.42 Favored Pre-proline 0 C--N 1.308 -1.224 0 CA-C-O 121.85 0.833 . . . . 0.0 110.274 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -69.99 -23.51 29.64 Favored 'Trans proline' 0 C--O 1.244 0.82 0 C-N-CA 123.373 2.715 . . . . 0.0 113.882 -172.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -74.03 -34.72 64.21 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -78.34 -28.83 47.35 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.576 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.61 ' OG1' ' HA ' ' A' ' 60' ' ' ALA . 10.6 m -60.46 -43.81 96.53 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -57.33 -41.79 80.66 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.268 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.82 -46.58 71.46 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 123.863 0.727 . . . . 0.0 111.354 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.97 -43.33 89.26 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.091 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.768 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.51 ' O ' HG13 ' A' ' 75' ' ' ILE . 54.6 mt-10 -59.15 -48.12 82.77 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.548 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 26.8 t-20 -58.18 -43.59 87.6 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.733 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -62.49 -40.25 96.11 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.51 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.87 -41.82 91.13 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.825 175.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 71' ' ' GLU . 76.1 mt -55.63 -46.13 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 121.41 0.624 . . . . 0.0 110.517 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 21.2 pt20 -75.52 -44.63 42.62 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.9 ttp -67.43 -36.3 80.95 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.79 -31.56 72.85 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -19.05 64.41 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.893 0.877 . . . . 0.0 111.287 -177.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -84.36 -3.81 58.51 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.929 -0.482 . . . . 0.0 111.264 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.76 3.68 89.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.609 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -78.88 -9.56 59.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.334 0.588 . . . . 0.0 110.85 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.38 102.19 10.1 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.983 0.896 . . . . 0.0 111.263 174.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.1 m -133.37 15.55 4.1 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 171.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -130.62 162.89 28.35 Favored 'General case' 0 N--CA 1.423 -1.783 0 CA-C-N 113.279 -1.782 . . . . 0.0 108.09 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 48.0 mmtm -86.79 142.32 28.2 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 p -89.99 150.43 3.73 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 176.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 m -87.36 163.58 16.71 Favored 'General case' 0 C--N 1.289 -2.027 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -58.63 -45.44 89.25 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 120.951 0.405 . . . . 0.0 110.183 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -68.93 -18.65 64.13 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.34 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -78.77 -39.05 22.14 Favored Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 176.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.5 tp -70.07 -40.09 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.554 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 89.6 mt -63.08 -34.03 64.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.567 177.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.95 -35.92 81.75 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 78.6 mt -70.21 -45.63 75.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.371 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 36.6 tp -57.21 -31.47 65.52 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.426 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 88.7 mttt -65.3 -53.94 36.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.643 177.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -68.65 -35.14 76.87 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -176.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 103' ' ' THR . 19.0 m -62.07 -14.0 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.8 m -60.5 -49.48 77.4 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -105.73 -74.86 0.64 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 121.265 0.555 . . . . 0.0 110.39 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -110.78 102.01 10.58 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.621 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 99' ' ' VAL . 3.4 m -42.68 -49.59 5.57 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.215 1.406 . . . . 0.0 109.646 175.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -176.28 123.82 0.18 Allowed 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.578 169.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.494 ' HB3' ' HZ1' ' A' ' 105' ' ' LYS . 4.7 mmmp? -144.04 -8.93 0.69 Allowed 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.812 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -131.02 167.79 18.46 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.962 0.887 . . . . 0.0 111.446 -171.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.7 m -146.54 89.83 1.88 Allowed 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 174.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.6 m -57.73 118.0 4.83 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.074 -176.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.4 t -72.85 -32.26 39.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.461 ' HE2' ' OXT' ' A' ' 112' ' ' ASN . 14.1 mmmm 73.31 131.94 0.04 OUTLIER 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.152 1.381 . . . . 0.0 111.52 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -91.41 -17.65 25.47 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 172.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.461 ' OXT' ' HE2' ' A' ' 110' ' ' LYS . 2.4 t-20 . . . . . 0 N--CA 1.419 -1.991 0 CA-C-N 113.199 -1.819 . . . . 0.0 106.16 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.915 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.1 m -113.32 78.99 1.18 Allowed 'General case' 0 N--CA 1.428 -1.568 0 CA-C-O 121.529 0.681 . . . . 0.0 109.497 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.04 92.67 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.951 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -67.77 -32.34 72.86 Favored 'General case' 0 C--O 1.201 -1.463 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.775 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.92 -47.29 75.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.514 0.673 . . . . 0.0 109.411 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -68.22 -36.59 79.75 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.313 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.54 -32.21 69.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.266 0.555 . . . . 0.0 110.133 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -70.89 -38.21 73.02 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.65 70.99 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.229 0.537 . . . . 0.0 110.172 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.68 -41.19 92.71 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.176 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -69.87 -35.79 74.96 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.879 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -65.63 -31.32 72.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.289 175.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 25.7 tt0 -65.2 -44.62 87.78 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 173.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -64.33 -30.07 71.13 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.075 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt -72.05 -38.89 69.41 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 176.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.44 -25.54 65.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.141 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 57.5 mm-40 -62.42 -41.31 98.6 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 173.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.464 ' O ' HD12 ' A' ' 17' ' ' LEU . 3.5 tm? -74.96 -22.68 58.41 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.238 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 75.05 9.63 3.89 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.882 1.273 . . . . 0.0 111.934 171.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 55.21 32.67 18.98 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.773 0.829 . . . . 0.0 110.901 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -74.23 124.39 26.3 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -174.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . 0.264 14.7 p-80 -152.67 65.49 0.8 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 123.065 1.412 . . . . 0.0 109.101 168.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.99 41.56 0.05 OUTLIER Glycine 0 C--N 1.291 -1.921 0 N-CA-C 106.006 -2.838 . . . . 0.0 106.006 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -135.33 162.16 59.06 Favored Pre-proline 0 C--N 1.292 -1.912 0 CA-C-N 112.292 -1.954 . . . . 0.0 108.217 -169.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -68.44 -47.98 1.32 Allowed 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 121.847 1.698 . . . . 0.0 111.537 173.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 29' ' ' GLN . . . 113.82 153.08 10.93 Favored Glycine 0 N--CA 1.427 -1.961 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.29 -41.25 83.97 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.089 0.471 . . . . 0.0 111.362 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.95 83.71 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.85 -27.57 62.0 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 77.0 mt-30 -66.22 -31.36 72.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.943 0.401 . . . . 0.0 110.171 174.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -70.43 -30.0 66.74 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 34' ' ' HIS . 42.9 mt-10 -72.17 -38.31 69.14 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.507 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -65.26 -35.89 82.42 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.977 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 24.5 tptm -64.89 -39.52 93.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.371 0.605 . . . . 0.0 109.415 174.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 55.7 t-80 -62.43 -43.38 98.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 175.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.478 ' HA ' ' OE2' ' A' ' 38' ' ' GLU . 1.3 tpm_? -62.66 -32.36 73.41 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.784 -179.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 10.9 mm-40 -57.97 -48.58 79.54 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.714 0.406 . . . . 0.0 110.243 177.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.38 90.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.2 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.478 ' OE2' ' HA ' ' A' ' 35' ' ' ARG . 40.1 mt-10 -62.21 -46.94 86.65 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.749 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 89.8 mtp -64.24 -38.73 92.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.657 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -53.16 39.54 Favored 'General case' 0 C--O 1.218 -0.589 0 C-N-CA 120.666 -0.414 . . . . 0.0 109.904 173.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -56.79 -42.09 78.85 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 123.236 0.614 . . . . 0.0 112.396 -175.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.4 m -60.33 -47.79 84.52 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 123.6 0.562 . . . . 0.0 112.002 179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.2 pt -76.12 -38.73 35.12 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.089 0 C-N-CA 119.443 -0.903 . . . . 0.0 111.395 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.25 -27.43 69.34 Favored 'General case' 0 C--O 1.203 -1.391 0 C-N-CA 122.531 0.332 . . . . 0.0 111.676 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.88 -29.55 67.87 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 120.898 0.38 . . . . 0.0 110.959 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -96.56 -24.7 15.92 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.475 -179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.5 t -89.54 -42.68 14.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.301 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -101.56 129.55 47.68 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.14 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -59.95 157.07 13.28 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.978 174.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -50.13 -35.77 27.18 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 124.402 1.081 . . . . 0.0 112.18 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.7 m -73.76 -37.3 65.08 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.454 0.645 . . . . 0.0 109.848 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.33 70.41 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.744 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -59.61 -37.87 79.74 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.019 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.11 92.65 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.522 0.677 . . . . 0.0 110.283 178.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -64.93 -47.63 77.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.692 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.28 -43.03 82.75 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.298 0.639 . . . . 0.0 110.605 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.5 m -63.28 -41.03 98.96 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.769 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -64.68 -42.97 94.98 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.568 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.31 -35.09 73.17 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.927 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.9 -21.8 63.7 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 123.621 0.768 . . . . 0.0 112.795 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.1 mp -91.86 -28.12 17.51 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -94.1 -52.76 9.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -175.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -136.56 81.5 35.69 Favored Pre-proline 0 C--O 1.247 0.923 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.96 -27.75 85.61 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.36 2.707 . . . . 0.0 112.654 -175.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -62.97 -39.33 94.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.022 0.439 . . . . 0.0 110.597 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -78.47 -29.6 46.93 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.186 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.4 m -63.23 -45.96 89.14 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -57.87 -47.18 83.48 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.805 0.842 . . . . 0.0 109.203 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.62 88.87 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.944 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.2 -41.53 75.23 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 CA-C-O 118.948 -0.549 . . . . 0.0 111.815 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.551 ' O ' HG13 ' A' ' 75' ' ' ILE . 47.0 mt-10 -53.32 -51.47 62.26 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.072 0.463 . . . . 0.0 109.835 176.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -58.95 -36.04 74.13 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.033 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -69.37 -44.07 72.3 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.34 -37.18 86.29 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.096 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 71' ' ' GLU . 68.7 mt -56.05 -46.28 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 CA-C-O 121.854 0.835 . . . . 0.0 108.792 174.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.25 -41.82 96.8 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.46 -1.246 . . . . 0.0 110.244 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.0 ttt -68.65 -39.2 80.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.216 0.532 . . . . 0.0 110.653 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.03 -31.47 71.11 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 123.807 0.843 . . . . 0.0 111.092 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -60.35 -23.6 64.39 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.209 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -77.91 -19.32 54.9 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.31 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.97 39.92 97.76 Favored Glycine 0 C--O 1.22 -0.778 0 C-N-CA 121.323 -0.465 . . . . 0.0 112.148 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -100.82 -1.94 33.5 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.727 0.299 . . . . 0.0 111.515 -177.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.71 90.05 7.63 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-O 122.049 0.928 . . . . 0.0 111.278 -175.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 51.0 m -93.0 -17.31 24.05 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 113.719 -1.582 . . . . 0.0 107.702 174.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -136.59 158.66 43.92 Favored 'General case' 0 N--CA 1.421 -1.901 0 N-CA-C 105.069 -2.197 . . . . 0.0 105.069 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -83.27 153.68 24.54 Favored 'General case' 0 C--N 1.272 -2.791 0 O-C-N 123.619 0.574 . . . . 0.0 109.805 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.87 132.02 33.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.2 m -86.19 179.57 6.91 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.674 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -55.01 -48.1 73.82 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.767 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -55.44 -48.78 73.92 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 124.358 1.036 . . . . 0.0 110.771 -176.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.91 -42.63 96.82 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.422 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.6 tp -63.69 -43.6 96.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 110.214 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.83 -34.46 70.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.599 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.65 -38.61 89.84 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.5 175.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.5 mt -66.73 -37.28 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.09 -48.44 80.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.752 176.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.04 -43.67 91.69 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.153 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.94 -49.24 78.48 Favored 'General case' 0 N--CA 1.432 -1.33 0 C-N-CA 123.213 0.605 . . . . 0.0 111.669 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.89 -18.86 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.4 t -84.0 -50.44 8.0 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -76.18 -57.97 3.56 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -91.02 -37.01 13.72 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.042 0.449 . . . . 0.0 110.032 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.6 m 65.8 75.84 0.33 Allowed 'General case' 0 N--CA 1.423 -1.786 0 CA-C-N 114.387 -1.278 . . . . 0.0 109.192 -175.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.79 98.65 10.31 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.832 -177.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -136.54 124.79 23.17 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.5 m -89.24 73.04 8.12 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 122.319 1.057 . . . . 0.0 111.013 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 53.9 m -155.17 96.53 1.83 Allowed 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 114.041 -1.436 . . . . 0.0 107.294 175.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.9 m -89.78 100.44 13.25 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.0 t 73.71 -70.32 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 125.336 1.454 . . . . 0.0 110.143 -176.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -144.62 147.46 33.14 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -71.29 -72.41 0.22 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 58.8 t30 . . . . . 0 C--N 1.294 -1.808 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 176.634 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.829 0 N-CA-C 112.344 -0.303 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.0 t -118.87 146.44 44.89 Favored 'General case' 0 N--CA 1.429 -1.523 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.95 -64.57 0.77 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -172.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -68.79 -25.99 64.98 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.474 0.654 . . . . 0.0 111.106 -177.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -69.17 -47.72 64.17 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.353 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.79 -32.61 69.77 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.914 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.86 -39.97 96.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.836 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -59.92 -47.13 87.03 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.416 ' HA ' ' HD2' ' A' ' 11' ' ' ARG . . . -59.99 -40.13 88.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.885 -179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.62 -34.06 60.54 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -68.41 -31.11 70.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.274 0.559 . . . . 0.0 109.788 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 97.0 mtt180 -62.1 -37.93 86.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.81 174.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -67.28 -39.52 86.05 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -60.93 -39.37 89.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.126 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.506 ' O ' ' HA ' ' A' ' 18' ' ' GLN . 6.4 tt -57.38 -46.81 83.02 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 123.849 0.86 . . . . 0.0 110.35 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.86 -54.22 5.79 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -76.17 -48.66 19.71 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -169.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -80.41 -23.52 40.32 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER 69.8 74.53 0.23 Allowed 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 125.695 1.598 . . . . 0.0 106.792 -174.318 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.93 80.04 4.14 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-N 114.217 -1.356 . . . . 0.0 108.754 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HZ2' ' HB2' ' A' ' 20' ' ' LYS . 4.2 ttmp? -55.3 130.26 41.67 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 113.729 -1.578 . . . . 0.0 110.291 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -73.79 73.98 1.58 Allowed 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.538 0.685 . . . . 0.0 111.332 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.99 80.61 0.29 Allowed Glycine 0 N--CA 1.418 -2.516 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.41 151.57 87.56 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 177.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -65.19 35.76 0.11 Allowed 'Trans proline' 0 N--CA 1.502 2.009 0 C-N-CA 124.452 3.435 . . . . 0.0 116.457 -173.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.57 111.52 3.72 Favored Glycine 0 N--CA 1.429 -1.796 0 CA-C-O 120.003 -0.332 . . . . 0.0 112.549 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 t70 35.46 -80.34 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 127.42 2.288 . . . . 0.0 117.029 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.06 -26.13 66.58 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 123.146 0.579 . . . . 0.0 111.474 -174.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.77 -28.36 69.52 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.838 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -67.5 -41.13 85.0 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.316 0.579 . . . . 0.0 109.812 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -77.1 -33.93 56.87 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.82 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -62.34 -36.23 81.55 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.169 174.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.85 -49.01 79.21 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -63.63 -36.05 82.56 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.223 0.535 . . . . 0.0 110.585 178.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -60.79 -34.93 75.25 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 123.904 0.882 . . . . 0.0 109.499 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -81.23 -33.35 32.9 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.879 0.371 . . . . 0.0 110.183 176.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -62.97 -34.21 77.04 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.36 -36.19 73.09 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.331 0.586 . . . . 0.0 110.368 177.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -79.89 -49.98 11.14 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.375 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 61.1 mtt -83.96 -45.45 13.14 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -171.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -74.17 -31.01 62.52 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 122.135 -0.353 . . . . 0.0 110.915 -171.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -59.82 -36.79 77.51 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.553 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 16.4 m -56.35 -50.1 72.47 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.332 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.2 pt -68.94 -37.01 76.74 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.789 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.49 -36.16 79.7 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.051 0.453 . . . . 0.0 110.355 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.11 -18.49 61.29 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.323 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 42' ' ' SER . 25.6 mm-40 -86.16 -37.02 19.15 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 120.918 0.389 . . . . 0.0 110.261 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.499 ' HA ' HD12 ' A' ' 83' ' ' LEU . 5.2 p -83.64 -32.94 9.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.806 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.0 mt -104.35 126.01 51.08 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.791 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -61.02 160.37 10.02 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.138 175.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -47.95 -38.96 17.89 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 124.541 1.137 . . . . 0.0 111.126 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.6 m -72.48 -36.08 68.34 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.292 0.568 . . . . 0.0 110.201 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.65 -36.37 65.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.987 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -62.3 -39.11 91.91 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.952 0.406 . . . . 0.0 110.106 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.88 -35.32 79.76 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.982 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.471 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 12.5 tpt180 -67.75 -36.73 81.07 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.997 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.37 -49.56 74.1 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.84 0.456 . . . . 0.0 111.274 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.8 t -64.02 -38.19 90.16 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.484 0.49 . . . . 0.0 109.855 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -58.01 -50.69 72.55 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.827 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.11 -37.07 84.82 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.86 -23.75 67.46 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 122.775 0.43 . . . . 0.0 112.127 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.78 -9.06 29.62 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 120.894 0.378 . . . . 0.0 111.323 -177.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.7 p -115.46 -44.6 3.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 C-N-CA 120.275 -0.57 . . . . 0.0 112.242 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -143.64 81.34 12.18 Favored Pre-proline 0 C--O 1.24 0.567 0 C-N-CA 122.3 0.24 . . . . 0.0 110.36 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.68 -23.76 76.89 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.822 2.348 . . . . 0.0 113.305 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -62.35 -38.82 90.99 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.731 0.3 . . . . 0.0 111.0 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.403 ' NZ ' ' HA ' ' A' ' 100' ' ' SER . 25.9 mmmt -79.34 -31.78 43.12 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.258 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -62.35 -49.47 75.46 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.914 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -61.79 -32.81 73.12 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.854 0.359 . . . . 0.0 110.717 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.24 76.37 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.134 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.01 -41.42 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.961 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.454 ' O ' HG13 ' A' ' 75' ' ' ILE . 48.8 mt-10 -58.44 -43.65 88.85 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.382 0.134 . . . . 0.0 110.702 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -54.81 -40.43 69.52 Favored 'General case' 0 C--O 1.239 0.553 0 C-N-CA 123.698 0.799 . . . . 0.0 110.473 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -74.08 -51.99 14.04 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.933 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.32 -37.09 76.89 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 71' ' ' GLU . 68.2 mt -53.6 -50.48 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 123.166 0.291 . . . . 0.0 110.544 176.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -72.87 -41.3 64.85 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.677 -178.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.9 ttt -59.64 -41.81 91.36 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 122.987 0.515 . . . . 0.0 111.18 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.524 ' HA ' ' CD2' ' A' ' 83' ' ' LEU . . . -72.48 -38.53 68.15 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.521 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -40.1 95.16 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.288 -179.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -94.61 -1.71 52.75 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 113.631 0.975 . . . . 0.0 113.631 -176.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.58 35.29 55.74 Favored Glycine 0 C--O 1.224 -0.476 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.913 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -84.24 -3.27 58.09 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.522 0.677 . . . . 0.0 110.96 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.524 ' CD2' ' HA ' ' A' ' 78' ' ' ALA . 1.2 pt? -95.37 149.75 21.02 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.174 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -102.55 -34.02 9.27 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-O 121.424 0.631 . . . . 0.0 110.351 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.48 -173.18 4.37 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -177.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 57.1 mtmt -74.2 117.92 16.56 Favored 'General case' 0 C--N 1.282 -2.331 0 O-C-N 123.967 0.792 . . . . 0.0 109.33 177.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.3 t -77.68 132.02 33.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.3 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.1 m -90.54 -170.82 2.85 Favored 'General case' 0 C--O 1.25 1.126 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.494 ' O ' HG13 ' A' ' 93' ' ' ILE . 51.3 mt-10 -58.45 -47.37 84.22 Favored 'General case' 0 C--O 1.199 -1.571 0 C-N-CA 122.75 0.42 . . . . 0.0 112.095 -175.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -61.02 -35.27 76.42 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-O 121.002 0.43 . . . . 0.0 111.597 -176.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.489 ' O ' HG12 ' A' ' 95' ' ' ILE . . . -69.97 -42.43 68.78 Favored Glycine 0 N--CA 1.434 -1.444 0 N-CA-C 110.251 -1.139 . . . . 0.0 110.251 176.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.5 tp -66.73 -38.24 86.27 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 122.509 0.324 . . . . 0.0 111.329 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.521 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 80.2 mt -59.54 -36.61 65.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.71 -35.22 74.87 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.225 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 91' ' ' GLY . 28.7 mm -63.35 -42.28 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 174.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 18.2 tp -62.29 -34.31 76.34 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.869 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 93' ' ' ILE . 32.4 mmmt -63.35 -48.49 77.75 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 176.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -59.03 -46.94 86.95 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.749 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 103' ' ' THR . 19.8 m -73.36 -22.69 19.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.915 0.388 . . . . 0.0 112.033 -178.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 66' ' ' LYS . 66.5 m -76.73 -18.45 58.48 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 122.054 -0.404 . . . . 0.0 111.578 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -76.65 -78.03 0.13 Allowed 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.115 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -130.3 -59.05 1.05 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 120.961 0.41 . . . . 0.0 110.047 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.443 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 53.8 m -148.64 -60.59 0.24 Allowed 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 176.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -179.03 -22.35 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.932 1.293 . . . . 0.0 109.815 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -129.73 -174.57 3.34 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 171.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.2 t -107.02 82.76 1.73 Allowed 'General case' 0 N--CA 1.418 -2.044 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.796 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.7 m -84.25 -45.37 12.95 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.2 m -91.72 117.04 29.39 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 176.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.9 m -90.67 -40.33 12.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 C-N-CA 118.869 -1.133 . . . . 0.0 110.229 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -90.06 80.08 6.4 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 174.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -64.13 -50.33 68.67 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.645 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 46.9 t30 . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.765 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.928 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.3 m 66.18 4.59 3.2 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.039 1.336 . . . . 0.0 114.256 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.29 -34.63 48.73 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.48 -34.2 60.87 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.14 -34.97 75.85 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.487 175.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -61.61 -44.04 97.74 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.787 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.0 tp -66.49 -42.61 87.18 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 123.496 0.498 . . . . 0.0 109.765 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 14.2 tp10 -57.47 -55.59 32.86 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.838 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.03 99.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.273 -177.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.466 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 6.7 tt -61.01 -52.59 64.36 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 123.677 0.611 . . . . 0.0 109.678 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.89 -43.48 95.89 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.283 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 79.1 mtp180 -64.54 -44.97 89.13 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.421 0.153 . . . . 0.0 111.281 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.601 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 35.7 tt0 -63.24 -51.96 64.09 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -57.2 -38.19 73.31 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.456 0.473 . . . . 0.0 111.647 178.291 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.39 -44.52 82.84 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -44.6 84.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.913 -176.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 42.9 mt-10 -61.93 -46.36 89.66 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.704 0.764 . . . . 0.0 111.523 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.438 HD11 ' O ' ' A' ' 17' ' ' LEU . 2.7 tm? -77.04 -26.42 53.64 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.359 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 63.31 46.75 4.31 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -173.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.7 114.33 6.23 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 113.838 -1.528 . . . . 0.0 111.911 -175.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -108.28 139.19 43.35 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -138.94 27.08 2.42 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 122.192 0.996 . . . . 0.0 108.852 175.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.73 57.96 4.91 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 174.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 5.1 p-10 -145.84 144.4 22.08 Favored Pre-proline 0 N--CA 1.423 -1.816 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -175.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 23' ' ' ASP . 3.9 Cg_exo -87.47 23.61 0.79 Allowed 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 122.489 2.126 . . . . 0.0 112.353 177.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.83 -94.76 0.69 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.65 -0.31 . . . . 0.0 112.674 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -49.81 -46.48 51.09 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.284 1.033 . . . . 0.0 111.847 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 31' ' ' GLU . . . -59.08 -34.43 71.97 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.765 -178.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.92 -34.32 73.33 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.112 0.482 . . . . 0.0 110.658 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -68.53 -38.13 80.6 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.446 -0.797 . . . . 0.0 108.865 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -73.09 -31.59 64.44 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.085 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 27' ' ' ALA . 46.1 mt-10 -62.41 -40.64 97.18 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 174.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.6 -49.49 76.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.112 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -60.31 -42.65 96.01 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.994 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -61.74 -41.14 97.26 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -68.11 -35.67 78.52 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.323 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.57 -34.94 79.42 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.151 0.5 . . . . 0.0 110.562 177.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.05 -58.12 3.87 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.109 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.62 -50.73 72.36 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.7 ttt -71.47 -40.76 70.07 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -170.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -72.93 -38.35 66.87 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.712 -178.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -71.55 -47.05 57.53 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.699 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.494 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 29.8 p -56.51 -50.44 71.82 Favored 'General case' 0 C--O 1.209 -1.063 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -176.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.4 pt -59.0 -37.99 71.13 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.967 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.747 -178.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.5 mt -75.48 -34.26 60.87 Favored 'General case' 0 C--O 1.206 -1.195 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.163 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.9 -26.76 40.11 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -177.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 42' ' ' SER . 92.9 mt-30 -83.03 -26.96 30.68 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.098 0.475 . . . . 0.0 109.919 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.428 ' CG1' ' HG ' ' A' ' 83' ' ' LEU . 43.2 t -92.12 -45.69 14.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.03 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.6 mt -89.8 129.55 36.18 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -61.93 162.7 8.68 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -53.52 -36.45 61.78 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 123.608 0.763 . . . . 0.0 110.03 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 m -68.02 -40.77 82.86 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.613 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.28 -35.72 68.8 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.24 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -61.77 -40.37 94.95 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.763 0.316 . . . . 0.0 110.194 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.97 -47.22 69.18 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.661 177.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -57.12 -44.42 83.29 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 122.775 0.43 . . . . 0.0 110.731 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.3 -42.37 99.3 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.2 m -63.02 -38.76 92.48 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.566 0.698 . . . . 0.0 110.85 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -72.35 -32.04 66.13 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.573 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -68.82 -36.48 78.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.443 ' HA ' ' OG1' ' A' ' 67' ' ' THR . . . -58.51 -25.5 62.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.838 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.7 mt -81.75 -38.72 25.25 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.685 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -75.14 -38.74 42.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.625 -0.43 . . . . 0.0 112.096 -177.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -169.67 104.68 0.46 Allowed Pre-proline 0 C--O 1.243 0.717 0 C-N-CA 122.812 0.445 . . . . 0.0 111.227 173.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.427 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 49.1 Cg_endo -68.85 -10.16 28.34 Favored 'Trans proline' 0 CA--C 1.534 0.496 0 C-N-CA 123.041 2.494 . . . . 0.0 113.436 -175.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.05 -41.1 87.07 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.187 0.517 . . . . 0.0 110.097 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -78.8 -29.22 44.76 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.532 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.443 ' OG1' ' HA ' ' A' ' 60' ' ' ALA . 6.6 m -59.74 -50.9 72.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.187 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -64.6 -30.73 71.76 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.766 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.83 79.54 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.411 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.0 m -71.89 -42.42 69.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.874 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 75' ' ' ILE . 47.3 mt-10 -56.27 -52.27 65.11 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.664 0.269 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -61.47 -36.17 79.69 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.188 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.01 -48.11 77.62 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.728 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.31 -37.78 88.6 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.609 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 71' ' ' GLU . 78.1 mt -55.79 -49.37 75.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 O-C-N 123.372 0.42 . . . . 0.0 110.018 175.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.29 -50.06 71.6 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.486 ' SD ' ' HG3' ' A' ' 82' ' ' GLN . 21.8 mmt -63.51 -32.04 73.38 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -177.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.95 -38.27 85.81 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -65.97 -37.62 86.45 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.026 177.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -78.82 -15.22 58.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.683 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.61 41.35 51.16 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.376 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.486 ' HG3' ' SD ' ' A' ' 77' ' ' MET . 15.4 mm-40 -95.49 2.33 54.35 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.612 0.72 . . . . 0.0 110.481 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.428 ' HG ' ' CG1' ' A' ' 47' ' ' VAL . 3.7 mm? -111.99 101.71 9.99 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.78 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -84.77 -38.77 19.22 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -114.49 173.32 6.52 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.73 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -70.79 155.23 41.04 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.453 174.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.8 t -97.98 114.16 34.57 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.62 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 173.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.532 ' HB2' ' OE1' ' A' ' 90' ' ' GLN . 13.5 m -82.79 -178.68 7.19 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.59 -42.96 99.61 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 118.489 0.586 . . . . 0.0 111.713 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.532 ' OE1' ' HB2' ' A' ' 88' ' ' SER . 0.0 OUTLIER -61.15 -24.15 66.08 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 177.419 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -84.21 -32.91 21.84 Favored Glycine 0 N--CA 1.437 -1.291 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 56.5 tp -71.49 -41.86 68.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.18 -33.18 57.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.655 177.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.58 -47.75 82.47 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.909 178.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.415 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 66.8 mt -71.15 -35.6 59.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.975 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.08 -52.6 65.05 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.145 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -63.47 -32.29 73.69 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.222 0.534 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 95' ' ' ILE . 41.2 ttmt -63.37 -50.62 69.2 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.452 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.8 m -79.34 -23.27 12.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.2 t -65.63 -41.15 92.99 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -89.57 -45.06 9.65 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.284 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -125.75 -92.26 0.51 Allowed 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.077 0.465 . . . . 0.0 111.612 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.8 m 179.26 -63.03 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 102.821 -3.029 . . . . 0.0 102.821 -177.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 174.68 88.6 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.682 1.593 . . . . 0.0 108.39 172.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -137.51 36.22 2.47 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-O 123.013 1.387 . . . . 0.0 107.266 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.1 p -72.16 84.76 1.03 Allowed 'General case' 0 C--N 1.274 -2.713 0 CA-C-N 112.592 -2.094 . . . . 0.0 111.975 -177.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.3 m -69.29 -42.36 75.58 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 175.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.0 m -146.91 156.41 43.06 Favored 'General case' 0 N--CA 1.419 -2.003 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 175.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 88.5 t 75.29 94.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.579 0 C-N-CA 124.134 0.973 . . . . 0.0 109.335 -174.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.51 ' HB3' ' HZ3' ' A' ' 110' ' ' LYS . 7.1 ttpm? -140.38 -73.05 0.36 Allowed 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 114.225 -1.352 . . . . 0.0 108.802 -177.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -123.78 4.19 8.82 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 123.207 1.48 . . . . 0.0 107.847 170.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 N--CA 1.419 -2.001 0 N-CA-C 102.997 -2.964 . . . . 0.0 102.997 178.548 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 CA-C-O 120.701 0.286 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -69.78 -34.99 74.51 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.02 -49.43 57.76 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.89 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -67.86 -27.99 67.16 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -68.31 -48.05 65.94 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.525 ' OE2' ' HD3' ' A' ' 10' ' ' ARG . 11.5 tp10 -65.86 -30.3 70.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.348 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.55 -36.38 71.56 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.742 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.92 -39.1 93.0 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 120.931 0.396 . . . . 0.0 111.597 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.525 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 66.6 ttt180 -70.88 -48.06 55.79 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.61 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HD3' ' HG3' ' A' ' 7' ' ' GLU . 34.6 mtp180 -65.14 -29.54 70.38 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.52 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -60.95 -47.14 87.79 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -57.43 -36.34 71.26 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.013 0.435 . . . . 0.0 111.478 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--N 1.309 -1.172 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.221 -179.484 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.0 pt . . . . . 0 C--O 1.216 -0.669 0 CA-C-O 120.416 0.151 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.1 mt -67.1 -36.74 82.62 Favored 'General case' 0 C--O 1.212 -0.89 0 O-C-N 122.41 -0.181 . . . . 0.0 111.447 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.3 -21.88 59.53 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.981 0.419 . . . . 0.0 111.849 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -93.99 -29.99 14.95 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 120.815 0.34 . . . . 0.0 111.241 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.8 t -85.31 -45.98 17.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.163 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.441 HD23 ' HB ' ' A' ' 87' ' ' VAL . 90.1 mt -92.38 129.15 38.4 Favored 'General case' 0 C--N 1.28 -2.439 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 176.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.412 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 12.1 t70 -80.54 -178.14 6.57 Favored 'General case' 0 C--N 1.28 -2.442 0 C-N-CA 117.867 -1.533 . . . . 0.0 109.451 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -56.26 -39.16 72.17 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 123.627 0.771 . . . . 0.0 112.217 -174.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 p -65.41 -42.69 92.3 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.302 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.7 -38.34 80.22 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.469 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.566 HH11 ' HG2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -63.62 -42.97 98.13 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.5 175.738 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.27 -39.29 89.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.35 0.595 . . . . 0.0 110.662 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -70.79 -37.64 73.32 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.796 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.5 tp -63.75 -40.41 96.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.003 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.2 m -60.76 -47.48 86.13 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.679 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -66.8 -29.34 69.26 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.446 0.641 . . . . 0.0 110.253 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.88 -39.93 76.01 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -66.13 -28.83 69.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.477 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.89 -43.59 71.48 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.118 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.7 m -77.13 -51.94 17.66 Favored 'Isoleucine or valine' 0 C--O 1.246 0.892 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.518 ' HE3' ' HG2' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -155.37 94.33 2.6 Favored Pre-proline 0 C--O 1.246 0.899 0 CA-C-O 121.22 0.533 . . . . 0.0 111.51 179.044 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.505 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 23.9 Cg_endo -62.14 -17.24 55.47 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.132 2.554 . . . . 0.0 113.979 -176.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.429 ' OE1' ' HB2' ' A' ' 63' ' ' LYS . 2.7 mp0 -54.32 -49.38 69.82 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.621 0.724 . . . . 0.0 109.821 178.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.518 ' HG2' ' HE3' ' A' ' 63' ' ' LYS . 25.5 mmmt -78.62 -28.78 45.64 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.981 -175.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.446 HG21 ' HB2' ' A' ' 60' ' ' ALA . 7.4 m -56.17 -46.41 79.36 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 28.8 mtpp -57.08 -39.57 75.23 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.372 0.669 . . . . 0.0 111.237 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.89 -45.63 64.0 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.933 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.22 -35.27 52.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.44 ' O ' HG13 ' A' ' 75' ' ' ILE . 51.7 mt-10 -59.52 -47.54 85.15 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.517 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 23.9 t-20 -60.67 -43.86 97.16 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.566 177.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -61.9 -45.37 94.02 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.433 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.67 -37.4 86.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.871 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 71' ' ' GLU . 77.5 mt -58.1 -40.33 76.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 56.6 mm-40 -65.99 -50.05 65.67 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.3 ttt -61.32 -38.09 85.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.453 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.004 176.428 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 33.2 mmtp . . . . . 0 N--CA 1.439 -0.997 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.441 ' HB ' HD23 ' A' ' 48' ' ' LEU . 93.3 t -79.11 116.64 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.894 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 171.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.8 p -80.65 174.06 11.99 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.236 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.412 ' O ' HG13 ' A' ' 93' ' ' ILE . 46.2 mt-10 -59.37 -46.12 89.53 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.395 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 94' ' ' GLU . 11.5 pt20 -60.58 -35.41 76.01 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 123.581 0.551 . . . . 0.0 110.598 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.69 -45.47 65.81 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.63 -39.9 89.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.539 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 93.6 mt -67.67 -37.4 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.928 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 61.7 mm-40 -62.3 -44.08 97.33 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.622 ' O ' HG23 ' A' ' 99' ' ' VAL . 82.5 mt -61.58 -51.06 77.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.542 176.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 41.6 tp -51.88 -39.05 58.36 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.106 0.962 . . . . 0.0 111.315 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 99.4 mttt -58.83 -48.33 81.72 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.632 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . 0.326 0.0 OUTLIER -74.88 -23.63 58.42 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 119.609 -0.836 . . . . 0.0 112.78 -176.739 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 95' ' ' ILE . 2.9 t -93.82 -7.7 10.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.021 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.173 -176.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.5 p . . . . . 0 N--CA 1.476 0.854 0 C-N-CA 124.673 1.189 . . . . 0.0 114.114 -174.966 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.514 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -68.07 -34.51 76.57 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.402 -176.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -70.75 -49.87 42.17 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -56.97 -45.58 82.81 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.077 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.06 -54.13 47.01 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.087 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -65.74 -38.94 90.51 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.65 90.93 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.913 0.387 . . . . 0.0 110.598 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.22 -48.3 36.2 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.063 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -63.67 -40.26 96.39 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -175.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -64.89 -30.24 71.22 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.913 0.387 . . . . 0.0 111.734 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -74.67 -49.68 20.42 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -58.86 -34.81 72.02 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.802 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.131 178.865 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.35 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.5 mt -59.4 -42.45 91.77 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -173.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.17 -18.57 62.48 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 120.741 0.305 . . . . 0.0 111.6 -176.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -84.89 -26.63 27.18 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 120.723 0.297 . . . . 0.0 111.457 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.5 m -95.97 -41.68 11.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.512 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.3 mt -79.67 125.76 30.05 Favored 'General case' 0 CA--C 1.492 -1.265 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 6.2 t70 -76.98 179.93 5.91 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 176.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -48.52 -50.36 32.24 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -169.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 m -81.32 -22.19 38.69 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-O 121.138 0.494 . . . . 0.0 111.111 -173.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.35 -35.39 79.27 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.462 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -31.4 66.32 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 118.962 -1.095 . . . . 0.0 110.625 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.14 76.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.461 ' HD2' ' OE1' ' A' ' 89' ' ' GLU . 5.0 tpm_? -55.7 -46.42 77.66 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.311 1.044 . . . . 0.0 109.708 175.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.32 -47.05 85.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.235 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 25.7 t -63.33 -40.08 96.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.08 0.467 . . . . 0.0 109.985 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -64.35 -44.03 92.73 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -40.53 97.5 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.244 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.57 -33.7 73.09 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.866 0.866 . . . . 0.0 111.92 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 57' ' ' SER . 97.9 mt -73.38 -44.59 58.25 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.739 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.3 m -75.22 -59.72 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -135.77 92.11 17.16 Favored Pre-proline 0 CA--C 1.51 -0.558 0 CA-C-N 118.673 0.67 . . . . 0.0 109.85 178.719 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.12 -13.02 35.3 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 123.299 2.666 . . . . 0.0 112.922 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.33 -38.58 81.66 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 121.387 0.613 . . . . 0.0 109.829 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -79.48 -30.48 42.06 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.619 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.505 ' HA ' HG22 ' A' ' 70' ' ' VAL . 1.9 m -62.25 -40.73 97.18 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -53.46 -45.66 69.63 Favored 'General case' 0 C--O 1.246 0.913 0 C-N-CA 124.209 1.004 . . . . 0.0 109.98 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.22 -51.12 33.29 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.565 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 67' ' ' THR . 35.3 m -63.53 -39.61 85.96 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.611 ' O ' HG12 ' A' ' 75' ' ' ILE . 42.4 mt-10 -54.64 -53.1 59.15 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -56.8 -48.17 78.58 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.795 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -65.35 -42.16 93.1 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.298 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.22 -40.51 94.19 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 121.35 -0.14 . . . . 0.0 111.362 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 71' ' ' GLU . 44.5 mm -61.1 -45.76 97.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 177.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -62.59 -46.83 86.52 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.573 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 55.0 ttm -59.07 -46.18 88.92 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.65 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.756 179.585 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 33.5 mmtp . . . . . 0 N--CA 1.42 -1.934 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.3 t -83.11 111.2 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.136 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 172.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 p -93.84 -170.66 2.38 Favored 'General case' 0 C--N 1.283 -2.29 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.461 ' OE1' ' HD2' ' A' ' 55' ' ' ARG . 42.7 mt-10 -62.67 -37.28 85.78 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 174.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -61.21 -50.27 73.8 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.55 0.531 . . . . 0.0 109.675 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.18 -42.82 99.73 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.453 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.8 tp -67.86 -38.87 83.67 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 122.807 -0.231 . . . . 0.0 110.492 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.62 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 78.4 mt -65.3 -36.77 78.5 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 177.202 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -62.52 -46.99 85.87 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.471 ' HA ' ' HD3' ' A' ' 98' ' ' LYS . 98.3 mt -63.99 -37.35 79.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.098 0.475 . . . . 0.0 110.298 176.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.56 -41.62 97.64 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.831 176.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.62 ' HG2' ' O ' ' A' ' 93' ' ' ILE . 34.3 mmtp -61.68 -46.32 90.22 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 28.9 mtpp -54.73 -46.27 74.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.285 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.9 m -82.28 -19.03 10.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--N 1.315 -0.927 0 O-C-N 121.608 -0.683 . . . . 0.0 112.016 177.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.22 -36.76 85.16 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-O 121.497 0.665 . . . . 0.0 111.569 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -78.83 -52.45 8.32 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.049 -176.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.02 -28.85 70.38 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tt -57.88 -49.14 77.73 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -78.44 -40.37 35.96 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.063 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.42 -52.28 65.88 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.399 0.437 . . . . 0.0 111.644 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.36 -50.27 72.25 Favored 'General case' 0 CA--C 1.5 -0.97 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -63.65 -42.67 98.08 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 120.364 -0.535 . . . . 0.0 112.042 -175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -47.8 82.53 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -61.91 -47.61 84.16 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.523 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -56.2 -42.63 77.48 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.176 0.99 . . . . 0.0 111.214 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.436 -1.171 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.869 178.537 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.404 ' O ' HG22 ' A' ' 47' ' ' VAL . 26.5 pt . . . . . 0 C--O 1.223 -0.299 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.03 -42.23 94.53 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.049 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.43 -18.93 64.54 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 71.8 mm-40 -97.32 -38.06 9.8 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 120.971 -0.291 . . . . 0.0 111.727 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 43' ' ' ILE . 22.8 m -80.6 -25.45 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.513 -178.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -106.29 130.46 54.13 Favored 'General case' 0 N--CA 1.416 -2.132 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.87 156.73 32.5 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -52.72 -36.45 57.5 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 123.84 0.856 . . . . 0.0 113.001 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.5 m -73.65 -29.67 62.47 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.289 0.566 . . . . 0.0 110.269 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.94 -35.42 62.14 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -60.05 -39.69 86.83 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.344 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.87 -44.32 70.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.098 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 55' ' ' ARG . 8.8 tpt180 -56.44 -47.55 78.88 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.881 0.872 . . . . 0.0 109.91 178.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 tp -56.95 -47.09 81.5 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.09 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.456 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 49.0 m -62.11 -42.85 99.64 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.702 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -62.91 -38.34 90.6 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.141 0.496 . . . . 0.0 110.164 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.57 -39.3 91.51 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.533 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -62.24 -29.31 70.31 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.464 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 57' ' ' SER . 98.1 mt -77.38 -26.34 51.74 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.29 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 m -93.75 -45.46 13.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.765 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -161.3 102.34 1.23 Allowed Pre-proline 0 C--O 1.243 0.712 0 CA-C-O 121.51 0.672 . . . . 0.0 112.159 173.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.487 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 48.7 Cg_endo -67.06 -8.53 22.06 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.539 2.826 . . . . 0.0 114.078 -176.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -44.36 95.0 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -77.28 -29.2 53.73 Favored 'General case' 0 C--N 1.309 -1.163 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.817 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.533 HG21 ' HB2' ' A' ' 60' ' ' ALA . 7.1 m -61.28 -51.13 70.21 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.585 177.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -62.78 -31.16 72.07 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.665 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.64 -51.18 53.09 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.356 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.412 HG12 HG22 ' A' ' 95' ' ' ILE . 30.4 m -65.74 -39.16 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.892 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 75' ' ' ILE . 55.9 mt-10 -63.36 -51.84 64.22 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 121.289 -0.164 . . . . 0.0 110.65 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -55.65 -43.65 76.45 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 123.653 0.595 . . . . 0.0 110.145 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -60.26 -51.7 68.43 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.538 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.94 -42.61 99.31 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 71' ' ' GLU . 72.0 mt -52.93 -49.08 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-O 121.227 0.537 . . . . 0.0 110.296 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -73.9 -51.2 16.9 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.293 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.5 ttt -59.29 -39.94 84.58 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 123.368 0.667 . . . . 0.0 111.375 -174.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 120.567 0.222 . . . . 0.0 111.242 178.037 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 46.1 mtmt . . . . . 0 N--CA 1.43 -1.427 0 CA-C-O 120.962 0.41 . . . . 0.0 110.082 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.4 t -87.07 117.65 31.63 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.236 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -86.06 -179.8 6.83 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.518 ' O ' HG13 ' A' ' 93' ' ' ILE . 46.2 mt-10 -56.03 -48.53 75.8 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 118.301 0.5 . . . . 0.0 111.625 -178.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -59.43 -34.86 73.01 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.722 0.639 . . . . 0.0 111.297 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.64 -34.85 52.84 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.7 tp -74.03 -27.76 61.09 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 89' ' ' GLU . 97.4 mt -64.93 -31.45 53.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.3 -42.38 99.03 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.503 ' O ' ' HB2' ' A' ' 98' ' ' LYS . 29.5 mm -69.15 -39.64 79.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.617 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.2 tp -64.81 -42.17 95.21 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.208 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.85 -37.1 85.49 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.53 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 95' ' ' ILE . 94.9 mttt -56.78 -58.18 9.25 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 121.466 0.651 . . . . 0.0 111.109 176.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.38 -21.05 19.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.037 -0.983 . . . . 0.0 113.133 -172.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.44 -0.937 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.683 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -65.15 -40.18 94.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.952 0.882 . . . . 0.0 110.028 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.8 -52.16 64.25 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 113.622 -1.626 . . . . 0.0 110.638 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.604 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 11.9 pt-20 -67.32 -39.4 85.85 Favored 'General case' 0 C--O 1.207 -1.182 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.508 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.85 -39.61 94.91 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 122.181 0.192 . . . . 0.0 111.207 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.94 -45.01 94.49 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.611 0.72 . . . . 0.0 109.347 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.78 90.93 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.731 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 78.7 mt -61.8 -43.53 98.67 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 123.235 0.614 . . . . 0.0 111.646 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -58.91 -43.47 91.08 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-O 121.108 0.48 . . . . 0.0 110.419 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -64.55 -41.51 96.28 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.724 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -64.85 -46.85 80.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.901 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.87 -38.75 70.54 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.464 0.706 . . . . 0.0 110.01 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 121.083 0.468 . . . . 0.0 110.833 179.006 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.524 HG13 HD12 ' A' ' 44' ' ' LEU . 18.5 pt . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 120.532 0.206 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.524 HD12 HG13 ' A' ' 43' ' ' ILE . 5.7 mp -79.64 -31.08 41.52 Favored 'General case' 0 C--O 1.206 -1.204 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.885 176.106 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.48 -22.54 62.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -84.88 -34.02 22.69 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.328 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.59 HG11 HD12 ' A' ' 74' ' ' LEU . 15.6 t -79.67 -41.23 21.84 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.519 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -101.65 120.32 40.14 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 120.725 0.298 . . . . 0.0 110.411 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.48 161.4 17.31 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 172.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -49.9 -32.64 15.07 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 123.929 0.892 . . . . 0.0 111.746 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.9 p -65.05 -47.29 77.9 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.102 0.477 . . . . 0.0 110.081 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.5 -35.52 75.61 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.043 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -62.23 -43.91 97.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.846 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.32 -40.18 81.75 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.11 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.528 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 6.4 tpt180 -64.38 -37.53 87.83 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.7 tp -58.25 -41.06 83.37 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 123.837 0.855 . . . . 0.0 110.063 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.457 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 24.8 t -66.37 -28.68 68.83 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.57 -46.96 80.49 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.79 -39.1 93.43 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.658 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.4 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -64.7 -22.91 67.09 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 122.959 0.504 . . . . 0.0 112.265 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 57' ' ' SER . 95.1 mt -91.83 -15.79 27.7 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 120.817 0.342 . . . . 0.0 110.654 -178.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 p -108.61 -47.38 7.43 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -141.1 85.62 12.01 Favored Pre-proline 0 C--O 1.245 0.831 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.92 -17.1 58.47 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.858 2.372 . . . . 0.0 113.397 -174.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -71.2 -38.4 72.08 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -74.62 -29.84 61.44 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 6.1 m -64.28 -44.85 90.39 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 174.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -63.21 -39.57 95.0 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.088 -177.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.56 -47.79 80.09 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.799 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -69.03 -36.26 72.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.673 0 C-N-CA 119.466 -0.893 . . . . 0.0 111.078 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.463 ' O ' HG13 ' A' ' 75' ' ' ILE . 40.0 mt-10 -54.25 -51.1 65.59 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 176.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 23.6 t-20 -56.78 -46.6 81.42 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.027 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -62.31 -48.87 77.97 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.399 -178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.59 HD12 HG11 ' A' ' 47' ' ' VAL . 2.8 mm? -63.39 -37.28 86.67 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 71' ' ' GLU . 78.7 mt -59.1 -44.68 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 CA-C-O 120.86 0.362 . . . . 0.0 110.165 177.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 12.2 mm100 -68.48 -43.68 76.42 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.465 0.65 . . . . 0.0 109.6 178.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.3 tpt -58.42 -46.13 87.07 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 125.495 1.518 . . . . 0.0 110.477 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.121 -179.478 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt . . . . . 0 N--CA 1.431 -1.394 0 CA-C-O 121.318 0.58 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.426 ' CG1' ' HA3' ' A' ' 91' ' ' GLY . 50.4 t -84.28 137.52 20.74 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.963 0 C-N-CA 124.239 1.016 . . . . 0.0 108.461 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.0 m -87.48 -170.58 3.09 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.135 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.604 ' O ' HG12 ' A' ' 93' ' ' ILE . 38.0 mt-10 -56.99 -48.07 79.3 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 123.346 0.658 . . . . 0.0 111.269 -175.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -57.39 -41.18 79.76 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 123.313 0.645 . . . . 0.0 112.287 -175.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.426 ' HA3' ' CG1' ' A' ' 87' ' ' VAL . . . -63.94 -38.41 96.03 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.215 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.3 tp -68.17 -35.68 78.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.604 HG12 ' O ' ' A' ' 89' ' ' GLU . 23.5 mm -62.58 -41.58 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.88 -36.38 84.16 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.602 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 77.7 mt -68.74 -36.14 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 45.0 tp -62.15 -38.76 90.25 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.772 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -58.66 -47.86 83.02 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -53.28 -52.07 60.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.987 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.1 m -74.44 -22.19 17.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.255 -175.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.437 -1.111 0 CA-C-O 121.326 0.584 . . . . 0.0 109.862 172.793 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.216 0 CA-C-O 120.995 0.426 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -70.81 -44.09 67.28 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.117 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -57.19 -42.54 81.39 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.659 0.784 . . . . 0.0 111.246 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.02 -49.98 45.95 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.122 0.487 . . . . 0.0 110.437 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.8 -43.88 94.23 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.555 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -65.7 -39.97 91.79 Favored 'General case' 0 C--O 1.183 -2.447 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.821 -177.616 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.27 96.02 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 120.984 0.421 . . . . 0.0 111.25 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.29 -53.21 31.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.418 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 40.8 ttt180 -58.07 -48.89 78.75 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 123.568 0.747 . . . . 0.0 111.158 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' GLU . 65.6 ttt180 -56.78 -47.58 79.84 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 125.3 1.44 . . . . 0.0 110.889 -178.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -64.8 -39.34 93.43 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.256 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -69.56 -32.75 71.72 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.791 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 10' ' ' ARG . 80.3 mt . . . . . 0 N--CA 1.425 -1.684 0 C-N-CA 123.163 0.585 . . . . 0.0 110.839 175.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.494 ' O ' HG23 ' A' ' 47' ' ' VAL . 20.3 pt . . . . . 0 C--O 1.202 -1.405 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.5 -33.81 74.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.726 -176.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.02 77.21 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.061 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -98.21 -19.74 17.68 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 43' ' ' ILE . 83.5 t -72.32 -41.75 65.58 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.958 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.576 HD12 HH11 ' A' ' 53' ' ' ARG . 87.8 mt -87.57 134.8 33.57 Favored 'General case' 0 N--CA 1.407 -2.591 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.72 147.01 50.95 Favored 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 172.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -47.93 -37.85 15.29 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.532 0.733 . . . . 0.0 112.486 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -65.55 -39.86 92.21 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 121.345 0.593 . . . . 0.0 109.794 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.39 -35.77 60.99 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.422 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.576 HH11 HD12 ' A' ' 48' ' ' LEU . 19.8 tpt180 -66.64 -40.7 88.82 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.81 -41.78 96.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.138 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -61.47 -39.38 90.7 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.534 0.734 . . . . 0.0 110.44 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.7 tp -73.0 -29.57 63.13 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.046 0.45 . . . . 0.0 111.261 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.0 m -67.49 -37.6 83.09 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 122.125 0.964 . . . . 0.0 109.244 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -65.45 -37.81 87.99 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.121 -1.4 . . . . 0.0 108.899 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -40.39 87.32 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.39 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.77 -28.47 70.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.12 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.67 -42.18 82.54 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.922 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.54 -48.78 17.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.453 ' HE2' ' HG3' ' A' ' 66' ' ' LYS . 22.2 pttm -159.43 104.8 1.5 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 121.291 0.567 . . . . 0.0 112.506 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -71.05 -9.32 25.39 Favored 'Trans proline' 0 C--O 1.241 0.631 0 C-N-CA 123.668 2.912 . . . . 0.0 114.76 -174.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.61 -32.38 62.31 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 119.152 -1.019 . . . . 0.0 110.554 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.453 ' HG3' ' HE2' ' A' ' 63' ' ' LYS . 25.8 mmmt -78.84 -29.89 44.9 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.3 m -60.95 -51.33 69.74 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.153 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -63.99 -30.53 71.6 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.823 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.89 -51.41 62.13 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 123.635 0.585 . . . . 0.0 110.405 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.3 m -69.66 -37.52 74.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.63 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.509 ' O ' HG13 ' A' ' 75' ' ' ILE . 42.0 mt-10 -60.77 -41.83 96.29 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.008 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -66.02 -36.34 83.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.671 0.748 . . . . 0.0 109.185 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -67.2 -44.21 80.14 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.617 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.75 -37.9 80.26 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 71' ' ' GLU . 63.5 mt -54.91 -44.67 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -75.64 -45.65 36.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.179 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 34.8 ttp -64.93 -40.73 95.48 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.376 -174.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.322 0 CA-C-O 121.127 0.489 . . . . 0.0 110.114 178.838 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? . . . . . 0 C--O 1.256 1.408 0 CA-C-O 120.897 0.379 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.42 116.2 5.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.8 m -78.32 176.67 9.1 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.146 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -51.32 -48.38 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 123.732 0.813 . . . . 0.0 111.486 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -62.97 -28.16 69.9 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.498 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -75.97 -40.14 31.13 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.4 tp -66.71 -47.28 72.86 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.426 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 88.5 mt -61.08 -30.9 48.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.752 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.18 -48.16 81.28 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.367 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 77.4 mt -69.45 -42.63 81.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.381 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.1 tp -54.28 -46.4 72.69 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.651 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 10.1 mtmp? -60.24 -45.6 92.7 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . 0.314 0.0 OUTLIER -71.73 -29.48 64.58 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -179.306 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.6 m -82.75 -18.76 10.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.003 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.434 ' HA ' ' HE2' ' A' ' 66' ' ' LYS . 22.9 t . . . . . 0 N--CA 1.443 -0.811 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.5 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -62.56 -44.42 96.39 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.987 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -72.43 -37.06 68.69 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.598 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.12 -37.19 84.18 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.887 0.375 . . . . 0.0 110.973 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.58 -49.5 74.99 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.704 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 20.3 mm-40 -59.3 -52.99 63.28 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.095 176.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.61 -48.49 66.28 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.683 0.793 . . . . 0.0 112.149 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.26 -43.9 92.44 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.098 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.2 mtp85 -73.34 -42.79 61.86 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.159 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 99.2 mtt180 -61.55 -38.23 86.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.884 0.374 . . . . 0.0 110.567 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -58.95 -53.07 62.5 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.49 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.14 -39.48 92.72 Favored 'General case' 0 C--O 1.201 -1.48 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.705 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 C--N 1.317 -0.835 0 CA-C-O 121.236 0.541 . . . . 0.0 111.512 177.493 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 47' ' ' VAL . 29.7 pt . . . . . 0 N--CA 1.439 -0.995 0 CA-C-O 119.856 -0.116 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.93 -37.51 79.7 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.97 -19.51 60.07 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -97.39 -26.07 15.0 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.118 0.485 . . . . 0.0 111.289 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 78' ' ' ALA . 73.8 t -79.31 -44.94 24.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.972 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -91.04 124.38 35.23 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.24 152.89 42.57 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -48.28 -36.63 14.46 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 123.903 0.752 . . . . 0.0 110.878 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.7 p -63.44 -48.26 78.48 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-O 120.815 0.34 . . . . 0.0 110.821 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.56 -36.38 68.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.513 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -62.2 -46.85 87.08 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.39 85.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.904 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 7.6 tpt180 -59.51 -47.08 86.92 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.4 tp -68.96 -28.4 66.59 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.401 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 56.2 m -64.0 -42.92 97.01 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.057 0.456 . . . . 0.0 110.626 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -72.15 -39.02 69.06 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -56.8 -39.62 74.45 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.434 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.429 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -60.42 -22.34 63.28 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.915 0.886 . . . . 0.0 112.367 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.5 mt -94.99 -44.03 7.88 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.653 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.5 m -74.04 -42.66 52.36 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -143.99 82.53 10.93 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-O 121.415 0.626 . . . . 0.0 111.733 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -64.22 -20.14 66.65 Favored 'Trans proline' 0 C--O 1.241 0.661 0 C-N-CA 123.806 3.004 . . . . 0.0 113.737 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 1.4 tm-20 -69.34 -39.91 77.86 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -175.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -78.95 -29.98 44.32 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.001 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.429 HG21 ' HB2' ' A' ' 60' ' ' ALA . 2.2 m -60.83 -46.83 89.03 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.235 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 65.2 pttt -59.56 -37.66 79.04 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.528 -177.026 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.18 -49.2 52.8 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.373 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -65.77 -41.63 90.67 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 C-N-CA 120.341 -0.543 . . . . 0.0 112.435 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.45 -39.03 92.05 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.739 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.401 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 21.2 t-20 -62.22 -42.64 99.49 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 176.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -60.86 -48.06 83.51 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.652 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.9 -37.22 86.08 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.535 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.2 mt -58.95 -47.3 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 16.9 mm-40 -62.8 -45.68 91.52 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.994 0.425 . . . . 0.0 111.114 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -66.48 -38.59 87.64 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.317 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . . . . . . 0 CA--C 1.516 -0.339 0 CA-C-O 121.096 0.474 . . . . 0.0 110.336 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.434 -1.261 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.89 125.94 36.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -87.2 178.69 6.81 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.594 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.673 ' O ' HG12 ' A' ' 93' ' ' ILE . 41.1 mt-10 -63.27 -49.45 74.02 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -176.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.78 -36.86 80.06 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.654 0.596 . . . . 0.0 110.66 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.44 -39.11 91.41 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.1 tp -67.48 -37.19 82.49 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.673 HG12 ' O ' ' A' ' 89' ' ' GLU . 28.0 mm -59.73 -42.09 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -62.33 -35.62 79.65 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.397 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 73.2 mt -72.64 -39.65 61.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 37.4 tp -59.25 -42.68 91.68 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.141 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.79 -38.32 90.21 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.322 0.582 . . . . 0.0 110.624 177.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -69.22 -38.15 78.41 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.817 -175.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.3 m -79.62 -14.04 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.387 0.613 . . . . 0.0 110.332 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.433 -1.281 0 CA-C-O 121.713 0.768 . . . . 0.0 109.224 174.654 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.64 -46.68 89.39 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.283 0.563 . . . . 0.0 110.973 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -67.05 -49.38 65.35 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.25 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -58.11 -35.86 72.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.5 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.8 -46.26 79.3 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 41.9 tt0 -71.26 -35.27 71.33 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.285 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.86 92.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.92 0.391 . . . . 0.0 110.087 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.01 -46.4 89.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.454 -0.794 . . . . 0.0 108.874 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -60.71 -44.27 96.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.953 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 86.2 mtt180 -60.8 -42.11 96.95 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.411 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -63.77 -50.22 69.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.65 0.594 . . . . 0.0 110.12 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -57.97 -40.85 81.66 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.688 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tm? . . . . . 0 C--N 1.321 -0.643 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.497 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 47' ' ' VAL . 14.9 pt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.89 -53.74 29.13 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.011 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.33 -18.62 63.83 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -177.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -83.46 -38.86 21.3 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.623 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 43' ' ' ILE . 32.6 m -84.29 -37.06 12.51 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.113 0 C-N-CA 120.104 -0.639 . . . . 0.0 111.565 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.1 mt -78.17 129.78 35.55 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -67.07 156.74 35.33 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 174.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -48.89 -37.86 20.91 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 123.835 0.854 . . . . 0.0 111.368 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.8 m -74.4 -33.86 63.13 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.008 0.433 . . . . 0.0 110.212 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.97 -37.91 64.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.903 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -65.28 -41.73 93.86 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.73 91.83 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.592 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -58.14 -39.34 78.53 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.085 0.554 . . . . 0.0 110.272 176.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 67' ' ' THR . 27.3 tp -71.84 -37.73 70.25 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.203 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.6 t -66.15 -26.59 67.5 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-O 121.978 0.894 . . . . 0.0 108.875 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.545 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 2.8 t-20 -69.14 -52.22 30.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.297 174.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.408 ' HA ' HG22 ' A' ' 62' ' ' VAL . 4.6 mm? -60.16 -31.03 69.72 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.089 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.42 -26.46 67.87 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.498 0.719 . . . . 0.0 112.07 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.8 mt -90.17 -19.49 24.18 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.438 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 59' ' ' LEU . 30.1 m -97.1 -48.88 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.263 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.82 93.14 3.51 Favored Pre-proline 0 C--N 1.314 -0.959 0 CA-C-O 121.355 0.598 . . . . 0.0 110.597 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -67.19 -9.68 25.99 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.234 2.623 . . . . 0.0 113.566 -174.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -55.85 -51.2 68.36 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 176.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.512 ' HD3' HG23 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -67.88 -35.12 77.96 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 113.156 -1.838 . . . . 0.0 109.932 -175.23 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.473 ' HA ' HD11 ' A' ' 56' ' ' LEU . 9.6 m -62.3 -51.14 68.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 123.52 0.513 . . . . 0.0 110.161 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -62.27 -42.11 99.05 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.094 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.07 69.49 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.805 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.427 HG13 HG21 ' A' ' 99' ' ' VAL . 33.2 m -67.73 -39.52 82.22 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.686 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 75' ' ' ILE . 54.5 mt-10 -64.96 -42.45 94.6 Favored 'General case' 0 C--O 1.21 -1.025 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.44 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -64.36 -39.63 94.26 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -64.31 -50.89 66.06 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.737 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.65 -37.6 84.65 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 71' ' ' GLU . 58.8 mt -53.29 -50.37 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 121.208 0.528 . . . . 0.0 109.703 175.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -72.23 -45.09 61.7 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.682 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.8 ttt -59.12 -43.22 91.93 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 123.842 0.857 . . . . 0.0 111.367 -176.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.683 179.261 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 N--CA 1.435 -1.223 0 CA-C-O 122.141 0.972 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -102.22 113.11 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.233 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.3 m -77.66 172.06 13.98 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.436 ' O ' HG13 ' A' ' 93' ' ' ILE . 50.8 mt-10 -53.32 -48.22 68.63 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 117.754 0.252 . . . . 0.0 111.233 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -58.09 -32.68 68.31 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.484 0.49 . . . . 0.0 111.709 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.25 -41.19 47.27 Favored Glycine 0 N--CA 1.438 -1.189 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.6 tp -71.55 -31.11 66.65 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 89' ' ' GLU . 89.8 mt -61.77 -32.06 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.241 0.543 . . . . 0.0 109.77 175.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.428 ' OE2' ' HD2' ' A' ' 97' ' ' LYS . 19.6 tp10 -69.0 -33.66 74.03 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.308 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.1 mm -74.72 -41.82 47.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.76 -44.35 96.85 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.284 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.428 ' HD2' ' OE2' ' A' ' 94' ' ' GLU . 17.0 ptpt -62.74 -34.11 76.52 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 63.1 mtpt -65.5 -52.17 54.7 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 123.536 0.522 . . . . 0.0 110.47 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.512 HG23 ' HD3' ' A' ' 66' ' ' LYS . 11.2 m -67.11 -18.22 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -176.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.539 0.685 . . . . 0.0 110.133 176.84 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.17 -28.83 57.48 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.967 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.0 -48.88 27.17 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 124.193 0.997 . . . . 0.0 110.723 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.94 -26.33 65.01 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.56 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.72 -38.29 89.89 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 173.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -70.23 -48.18 58.14 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.803 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.64 -39.75 71.29 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.762 0.664 . . . . 0.0 111.027 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 58.2 tp -61.91 -35.71 79.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 177.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -71.39 -30.59 66.29 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 11.4 mpt_? -67.32 -37.5 83.42 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 173.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.28 -46.22 84.6 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 5.3 mmp_? -57.01 -37.21 71.39 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 3.4 tm? . . . . . 0 CA--C 1.538 0.488 0 C-N-CA 123.93 0.892 . . . . 0.0 110.617 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.435 HD11 HG12 ' A' ' 75' ' ' ILE . 25.8 pt . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.37 -32.48 72.4 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.162 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.05 -33.43 75.51 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.388 0.613 . . . . 0.0 110.684 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -71.14 -43.71 67.02 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.824 -178.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.621 HG11 HD12 ' A' ' 74' ' ' LEU . 21.9 t -83.16 -44.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.623 -175.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.83 130.96 42.61 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-O 121.954 0.883 . . . . 0.0 112.978 -173.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.76 155.78 22.06 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.439 170.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -50.78 -39.99 54.05 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 124.259 1.024 . . . . 0.0 110.694 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -67.88 -38.36 82.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.176 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.05 -35.46 74.27 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.792 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -73.92 -28.64 61.63 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.333 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.91 77.83 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 173.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -63.29 -42.6 99.1 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.714 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 tp -55.58 -47.88 75.73 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.175 0.99 . . . . 0.0 110.654 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m -59.11 -43.7 91.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.994 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -58.83 -43.92 90.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.317 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.12 -34.76 78.3 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.405 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.44 -29.81 70.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.227 0.537 . . . . 0.0 111.348 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.5 mt -83.22 -23.27 32.87 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.675 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.1 m -103.4 -40.98 6.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -150.68 84.03 5.63 Favored Pre-proline 0 C--O 1.245 0.822 0 CA-C-O 121.518 0.675 . . . . 0.0 111.77 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -57.84 -22.87 55.99 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 123.997 3.132 . . . . 0.0 112.827 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.36 -45.64 84.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.4 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.415 ' HD2' ' HA ' ' A' ' 100' ' ' SER . 0.5 OUTLIER -78.52 -29.93 46.79 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.68 -178.345 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.1 m -62.49 -51.15 68.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -62.82 -33.02 74.35 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.894 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -69.87 -47.12 63.81 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.171 178.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.5 m -68.05 -38.93 80.63 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.825 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.957 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 75' ' ' ILE . 52.0 mt-10 -55.82 -51.06 68.79 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -56.04 -44.12 78.5 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 123.69 0.619 . . . . 0.0 110.308 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -65.34 -47.71 75.53 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.885 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.621 HD12 HG11 ' A' ' 47' ' ' VAL . 3.9 mm? -64.81 -37.43 87.59 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 71' ' ' GLU . 75.9 mt -54.93 -46.18 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.177 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -74.59 -37.96 62.76 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.574 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.07 -41.53 88.19 Favored 'General case' 0 C--O 1.249 1.068 0 C-N-CA 124.102 0.961 . . . . 0.0 109.488 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.344 176.471 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? . . . . . 0 C--O 1.241 0.629 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.76 138.84 20.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 175.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.2 m -85.04 -176.2 6.09 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.062 0.458 . . . . 0.0 111.956 -176.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -56.17 -42.99 77.95 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' A' ' 94' ' ' GLU . 90.0 mt-30 -56.76 -43.33 80.68 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 123.376 0.422 . . . . 0.0 112.009 -176.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.63 -40.37 98.54 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.18 -41.54 94.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.716 0.293 . . . . 0.0 110.229 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.8 mt -63.27 -31.09 51.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-O 121.15 0.5 . . . . 0.0 110.516 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 21.0 mm-40 -68.8 -45.73 70.5 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.3 mt -62.66 -37.14 78.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.321 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 48.5 tp -58.33 -37.86 75.98 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.444 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -63.39 -44.68 94.01 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -58.98 -51.36 70.41 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.066 -1.424 . . . . 0.0 110.212 -175.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.426 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 34.5 m -74.71 -20.02 16.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.415 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 73.1 m . . . . . 0 N--CA 1.439 -0.978 0 CA-C-O 120.786 0.326 . . . . 0.0 111.473 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.493 0 CA-C-O 121.282 0.563 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.28 -41.03 64.08 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.412 -174.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -59.37 -45.86 90.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.753 0.658 . . . . 0.0 111.29 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -64.49 -40.2 95.22 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 120.968 0.413 . . . . 0.0 110.086 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.7 tp -64.18 -45.42 88.45 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.962 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -75.27 -33.66 61.28 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.868 -179.342 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.56 91.18 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 174.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.57 -44.78 93.19 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.327 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.59 -44.66 89.95 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.157 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 65.8 mtt180 -57.3 -47.63 81.0 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.3 -42.36 93.14 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.975 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.44 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -64.54 -37.68 88.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.166 -0.334 . . . . 0.0 111.646 175.104 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.3 tp . . . . . 0 C--N 1.32 -0.698 0 CA-C-O 120.927 0.394 . . . . 0.0 109.974 178.282 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 75' ' ' ILE . 28.4 pt . . . . . 0 N--CA 1.436 -1.164 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.484 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 94.6 mt -67.5 -27.39 66.96 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -176.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.48 -31.42 32.93 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.99 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' A' ' 46' ' ' GLN . 8.4 mm-40 -87.87 -44.33 11.15 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.048 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.93 -45.08 77.91 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.524 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 85.2 mt -91.13 126.81 36.33 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.769 178.148 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.458 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 16.1 t70 -61.23 153.07 27.22 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 173.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 28.7 tt0 -54.94 -32.29 61.19 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 123.349 0.66 . . . . 0.0 111.675 -178.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 m -78.43 -27.2 46.48 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.34 -35.59 71.23 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.625 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -71.67 -26.9 62.71 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.81 176.482 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.91 75.16 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -62.7 -40.54 97.47 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.906 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.88 -43.13 94.91 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 123.783 0.833 . . . . 0.0 110.484 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m -63.24 -43.69 97.32 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.07 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -62.79 -37.44 86.69 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.031 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -33.74 76.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.66 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.32 -22.78 67.09 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.673 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.5 mp -79.6 -32.47 41.88 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.022 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -87.92 -58.41 3.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -146.5 100.78 4.06 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 117.87 0.305 . . . . 0.0 110.537 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 23.4 Cg_exo -64.4 -20.51 66.37 Favored 'Trans proline' 0 N--CA 1.48 0.729 0 C-N-CA 123.133 2.556 . . . . 0.0 112.507 -177.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.75 -45.13 95.24 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 121.727 0.775 . . . . 0.0 109.06 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.83 -29.77 61.16 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.546 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 64' ' ' PRO . 3.8 m -62.12 -51.62 67.15 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -66.24 -31.05 71.63 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.39 -49.8 65.61 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.73 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.12 -38.68 82.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.371 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 75' ' ' ILE . 52.0 mt-10 -59.62 -49.83 76.24 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.557 0.217 . . . . 0.0 110.672 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -57.33 -43.81 83.68 Favored 'General case' 0 C--O 1.25 1.092 0 C-N-CA 124.305 1.042 . . . . 0.0 109.606 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -62.26 -50.19 72.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.987 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.4 -40.83 97.78 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.409 ' HA ' HD12 ' A' ' 43' ' ' ILE . 78.1 mt -57.72 -43.08 83.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.327 0.584 . . . . 0.0 109.826 177.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -51.01 27.68 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.298 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -36.83 83.34 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.196 178.247 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 N--CA 1.443 -0.784 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.47 119.91 39.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 104.94 -2.244 . . . . 0.0 104.94 168.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -83.42 178.85 7.85 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.708 -176.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -57.62 -40.33 78.92 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 122.577 0.351 . . . . 0.0 110.995 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -57.71 -34.54 69.58 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.461 0.704 . . . . 0.0 110.818 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -75.59 -45.14 18.8 Favored Glycine 0 N--CA 1.437 -1.26 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.64 -38.14 86.59 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.574 -0.313 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.509 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 89.5 mt -62.41 -36.1 73.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.94 178.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 38.9 tt0 -68.88 -41.61 78.1 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.765 177.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 85.1 mt -62.87 -37.29 78.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.67 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.21 -41.53 93.22 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.391 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 95.4 mttt -58.79 -47.26 85.38 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 56.9 mtpt -60.82 -44.07 97.38 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.672 -177.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.3 m -77.92 -22.81 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 N--CA 1.441 -0.908 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 175.667 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.23 -42.12 84.54 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.432 0.634 . . . . 0.0 110.45 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.88 -43.85 91.6 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.669 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.78 -35.25 76.81 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.591 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.5 tp -62.37 -48.54 79.31 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -60.2 -35.32 75.13 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.056 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.99 -48.38 65.95 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.403 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.01 -43.72 98.24 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -57.11 -40.03 76.26 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.29 1.036 . . . . 0.0 111.379 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -80.7 -34.53 34.54 Favored 'General case' 0 C--N 1.312 -1.027 0 O-C-N 122.238 -0.289 . . . . 0.0 111.667 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -57.36 -44.02 83.99 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 124.178 0.991 . . . . 0.0 112.163 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -34.17 77.23 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.03 -0.668 . . . . 0.0 111.023 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 N--CA 1.435 -1.208 0 CA-C-O 121.181 0.515 . . . . 0.0 111.228 175.514 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.8 pt . . . . . 0 N--CA 1.448 -0.535 0 CA-C-O 120.73 0.3 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.08 -44.74 94.57 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.369 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.2 -18.44 65.31 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.8 -25.88 16.46 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.4 m -94.94 -32.74 4.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.15 0.5 . . . . 0.0 111.42 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -91.25 129.36 37.25 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.84 156.74 19.86 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 172.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -55.48 -34.53 64.66 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 122.768 0.427 . . . . 0.0 110.736 -177.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.9 p -65.36 -46.71 79.07 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.335 0.588 . . . . 0.0 110.589 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.06 -38.84 75.89 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.662 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -64.67 -42.22 95.51 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.54 79.47 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.05 175.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -58.39 -39.93 81.0 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.762 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.2 tp -69.39 -29.19 66.89 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 121.138 0.494 . . . . 0.0 110.949 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.4 m -68.27 -38.83 82.14 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 175.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.64 -36.93 85.44 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.416 173.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.82 -35.08 78.73 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.566 176.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.78 -23.14 67.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.538 0.685 . . . . 0.0 111.03 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.8 mt -85.41 -14.37 46.46 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.097 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.2 m -113.63 -49.42 5.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -139.77 88.5 12.15 Favored Pre-proline 0 C--O 1.251 1.138 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.82 -35.93 64.89 Favored 'Trans proline' 0 CA--C 1.518 -0.306 0 C-N-CA 122.676 2.251 . . . . 0.0 111.549 -177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.9 -49.13 69.27 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.833 0.708 . . . . 0.0 110.804 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -76.02 -29.53 58.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.503 -176.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.4 m -60.87 -51.23 70.19 Favored 'General case' 0 C--O 1.224 -0.269 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -60.95 -36.37 79.18 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.565 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.38 -48.71 71.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.582 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -68.8 -37.72 77.81 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.891 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.532 ' O ' HG13 ' A' ' 75' ' ' ILE . 64.9 mt-10 -60.48 -46.21 90.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -58.26 -40.47 81.93 Favored 'General case' 0 C--O 1.245 0.866 0 C-N-CA 124.199 1.0 . . . . 0.0 109.611 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -65.28 -48.01 74.69 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.237 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.56 -38.11 88.78 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 71' ' ' GLU . 91.1 mt -57.06 -41.13 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 121.15 0.5 . . . . 0.0 110.299 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -75.44 -51.89 12.0 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.267 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.5 tpp -63.46 -32.13 73.48 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -174.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.71 0 CA-C-O 120.8 0.333 . . . . 0.0 110.949 177.672 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm . . . . . 0 N--CA 1.416 -2.129 0 CA-C-O 121.033 0.444 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.0 t -93.9 117.24 37.04 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.178 0 N-CA-C 106.541 -1.652 . . . . 0.0 106.541 172.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.6 m -89.99 -173.82 4.01 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 93' ' ' ILE . 38.6 mt-10 -59.24 -44.04 92.36 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 122.795 0.438 . . . . 0.0 112.05 -173.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 94' ' ' GLU . 10.3 tt0 -61.4 -45.17 95.48 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 123.249 0.343 . . . . 0.0 110.761 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.73 -38.65 96.5 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.12 -44.39 96.75 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 89' ' ' GLU . 91.1 mt -64.17 -34.76 70.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.202 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 37.9 mm-40 -62.34 -49.94 73.6 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.77 -38.35 82.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.432 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.51 -41.81 86.25 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 123.264 0.625 . . . . 0.0 110.485 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -68.52 -41.47 79.88 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.526 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -60.71 -40.8 93.65 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.031 0.532 . . . . 0.0 112.181 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.4 m -76.72 -18.39 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 121.229 0.538 . . . . 0.0 111.378 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 N--CA 1.436 -1.165 0 CA-C-O 121.22 0.533 . . . . 0.0 109.807 176.55 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.088 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -78.09 -40.27 38.89 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.105 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.12 -42.07 94.28 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.82 -176.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -72.98 -27.48 61.84 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.389 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.63 -52.95 54.72 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.63 -43.68 76.39 Favored 'General case' 0 C--O 1.222 -0.365 0 O-C-N 123.718 0.636 . . . . 0.0 111.296 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.66 -56.61 18.34 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.625 0.578 . . . . 0.0 111.189 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.5 tp -63.65 -41.26 98.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.769 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -56.07 -47.95 76.99 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 124.006 0.923 . . . . 0.0 109.855 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -74.77 -34.6 62.49 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.13 -45.03 83.87 Favored 'General case' 0 C--O 1.237 0.424 0 O-C-N 123.516 0.51 . . . . 0.0 110.58 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -79.39 -46.32 17.82 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.024 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 N--CA 1.467 0.387 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -175.217 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.3 pt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.304 0.097 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.69 -41.11 98.94 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.468 176.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.65 -22.23 64.41 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -87.42 -32.14 19.7 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.355 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.6 m -88.81 -35.78 8.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.732 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.7 mt -101.34 125.96 48.04 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -78.36 -175.36 4.19 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.468 -0.893 . . . . 0.0 108.84 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -55.55 -40.76 72.32 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -169.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 m -79.72 -31.09 41.12 Favored 'General case' 0 C--O 1.213 -0.826 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.383 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.8 -35.31 72.48 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -65.04 -42.67 94.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.911 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.11 91.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.352 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.574 ' HD3' ' OE1' ' A' ' 89' ' ' GLU . 9.5 tpt180 -64.67 -36.35 83.98 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.881 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.528 HD12 HD11 ' A' ' 59' ' ' LEU . 53.0 tp -63.81 -45.23 90.57 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.797 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.2 m -62.83 -42.75 99.86 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.547 0.689 . . . . 0.0 110.116 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -56.05 -47.01 78.7 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.692 176.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.528 HD11 HD12 ' A' ' 56' ' ' LEU . 4.5 pp -74.74 -33.01 62.27 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 121.208 0.528 . . . . 0.0 111.706 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.513 ' HA ' ' OG1' ' A' ' 67' ' ' THR . . . -59.66 -39.0 82.99 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.769 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.3 tp -72.09 -26.58 62.21 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.74 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.0 m -93.23 -46.48 13.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 120.182 -0.607 . . . . 0.0 112.303 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -141.01 87.88 10.62 Favored Pre-proline 0 C--O 1.244 0.807 0 O-C-N 122.145 -0.347 . . . . 0.0 110.119 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.476 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 36.9 Cg_endo -67.14 -10.96 30.44 Favored 'Trans proline' 0 C--O 1.245 0.835 0 C-N-CA 122.692 2.262 . . . . 0.0 112.769 -178.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -66.37 -45.79 78.91 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -77.96 -28.9 49.56 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.226 -177.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.513 ' OG1' ' HA ' ' A' ' 60' ' ' ALA . 2.4 m -59.09 -41.54 88.29 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.989 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 54.9 mtmt -57.72 -46.18 84.77 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.035 178.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.27 -47.38 82.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.826 0.704 . . . . 0.0 111.965 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.77 -43.6 93.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.843 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 75' ' ' ILE . 63.6 mt-10 -61.65 -46.06 91.38 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.85 -40.25 75.76 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.159 0.984 . . . . 0.0 110.728 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -74.09 -45.07 51.49 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.106 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.02 -43.38 95.31 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 71' ' ' GLU . 74.5 mt -56.48 -46.79 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 123.361 0.413 . . . . 0.0 110.559 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -64.49 -51.15 64.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.0 ttp -64.02 -36.57 84.43 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.031 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.39 0 CA-C-O 120.92 0.39 . . . . 0.0 110.193 175.428 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.428 -1.567 0 CA-C-O 121.186 0.517 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.6 t -99.5 132.52 44.8 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 175.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.3 m -89.56 178.02 6.4 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.574 ' OE1' ' HD3' ' A' ' 55' ' ' ARG . 44.7 mt-10 -57.17 -48.4 78.82 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.572 0.349 . . . . 0.0 111.476 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -61.33 -34.29 75.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.362 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.15 -40.19 88.15 Favored Glycine 0 N--CA 1.451 -0.317 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.0 tp -66.9 -37.88 85.22 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 99.1 mt -67.19 -33.23 61.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.52 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -42.05 99.59 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.0 -42.26 82.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.046 175.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.4 tp -55.63 -38.54 69.64 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.704 0.802 . . . . 0.0 110.73 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -59.55 -53.77 54.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.541 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? -69.67 -29.85 67.38 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -175.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 32.2 m -76.39 -21.51 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.189 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.435 -1.183 0 CA-C-O 121.618 0.723 . . . . 0.0 109.308 176.046 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.466 0.372 0 CA-C-O 121.469 0.652 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -78.42 -32.16 48.49 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.84 0.828 . . . . 0.0 108.855 176.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.47 -34.25 75.61 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.047 -176.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 14.1 pt-20 -64.17 -34.82 78.95 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.4 -47.43 73.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -56.73 -55.45 34.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.242 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.95 93.26 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.966 -177.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.8 tp -67.85 -41.99 82.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.497 -177.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 ttp-105 -60.25 -43.57 95.99 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -62.98 -37.96 89.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.013 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -68.09 -52.24 37.31 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.247 0.546 . . . . 0.0 110.136 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -64.67 -25.14 67.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.724 -177.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.8 tp . . . . . 0 C--N 1.321 -0.652 0 C-N-CA 122.95 0.5 . . . . 0.0 110.032 176.258 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.437 ' O ' HG12 ' A' ' 47' ' ' VAL . 28.6 pt . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 111.029 0.011 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.18 -43.44 82.19 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 121.285 -0.166 . . . . 0.0 110.706 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.64 -24.51 67.61 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -96.46 -35.63 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.063 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 43' ' ' ILE . 10.8 p -75.33 -30.83 23.07 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.007 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.633 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.423 HD23 ' HB ' ' A' ' 87' ' ' VAL . 96.8 mt -106.46 126.24 52.0 Favored 'General case' 0 N--CA 1.421 -1.883 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 177.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -66.15 161.63 21.51 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 173.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -48.36 -37.08 15.85 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 124.151 0.98 . . . . 0.0 110.767 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.575 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 22.8 p -66.83 -48.28 69.39 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.058 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.11 -35.7 78.57 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.387 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -59.58 -40.2 86.61 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.514 0.326 . . . . 0.0 110.445 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.47 92.43 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.198 0.523 . . . . 0.0 110.211 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' A' ' 51' ' ' SER . 5.8 mpt_? -67.34 -39.49 85.81 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.926 178.16 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.25 -38.02 89.54 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.079 0.466 . . . . 0.0 109.885 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.406 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 39.7 t -66.62 -45.34 79.42 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.634 177.084 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -57.46 -51.41 69.56 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.679 0.392 . . . . 0.0 110.87 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.2 -32.6 72.37 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.351 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.402 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -68.2 -33.24 74.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.184 0.516 . . . . 0.0 110.978 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 57' ' ' SER . 94.2 mt -76.63 -30.06 56.71 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.115 -177.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 m -89.51 -59.29 2.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 C-N-CA 120.406 -0.518 . . . . 0.0 112.184 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -141.78 97.26 6.58 Favored Pre-proline 0 C--N 1.321 -0.649 0 O-C-N 121.982 -0.449 . . . . 0.0 111.154 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.461 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 18.5 Cg_exo -64.76 -10.38 24.66 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 123.122 2.548 . . . . 0.0 111.221 177.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -51.93 -56.32 14.85 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 126.141 1.776 . . . . 0.0 108.828 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -79.02 -29.88 43.87 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.757 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.461 ' OG1' ' HA ' ' A' ' 64' ' ' PRO . 4.3 m -57.62 -47.91 80.89 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.173 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 49.3 mtmt -61.63 -31.68 71.78 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.054 0.454 . . . . 0.0 110.904 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.33 -50.49 38.67 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.239 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.1 m -67.15 -39.15 82.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.942 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -56.4 -48.53 76.73 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 117.798 0.272 . . . . 0.0 110.557 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.26 -41.65 76.16 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.438 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -67.78 -48.15 67.15 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.862 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.27 -38.47 87.88 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.73 -43.68 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.46 -45.36 76.21 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.217 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.3 ttt -59.49 -42.8 92.94 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 121.222 0.534 . . . . 0.0 110.732 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.529 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.187 179.146 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? . . . . . 0 N--CA 1.409 -2.484 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.423 ' HB ' HD23 ' A' ' 48' ' ' LEU . 98.2 t -69.18 126.19 28.7 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.335 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.4 p -78.45 176.7 9.13 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.766 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' HG13 ' A' ' 93' ' ' ILE . 43.5 mt-10 -59.85 -48.41 81.79 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 174.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.489 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 19.8 mp0 -60.13 -45.06 94.31 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.093 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.32 -41.24 99.75 Favored Glycine 0 N--CA 1.45 -0.43 0 O-C-N 123.694 0.621 . . . . 0.0 112.509 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.7 tp -65.91 -37.81 87.07 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-O 120.907 0.384 . . . . 0.0 110.013 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 89' ' ' GLU . 98.1 mt -66.32 -29.67 47.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.379 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 36.8 mt-10 -68.7 -36.58 78.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.368 0.604 . . . . 0.0 110.009 174.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.437 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 72.4 mt -70.92 -35.88 61.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.709 0.766 . . . . 0.0 109.157 176.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.8 tp -64.28 -43.35 95.07 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.929 178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 94' ' ' GLU . 19.4 ptpt -69.4 -34.75 74.96 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.03 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 95' ' ' ILE . 21.3 ptmt -68.78 -36.9 78.87 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 119.991 -0.684 . . . . 0.0 110.506 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.7 m -82.6 -18.94 10.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.914 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 N--CA 1.452 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.826 176.172 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.49 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.3 -38.98 92.96 Favored 'General case' 0 C--N 1.316 -0.849 0 O-C-N 123.63 0.581 . . . . 0.0 111.867 -176.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.07 -46.97 72.7 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.253 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.34 -34.78 78.74 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.379 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.85 -43.49 75.34 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 35.4 tt0 -62.09 -40.3 95.4 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.02 88.32 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.7 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.97 -45.67 80.87 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -59.39 -47.71 84.41 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.686 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 61.4 mtt-85 -57.43 -41.23 80.03 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.913 0.485 . . . . 0.0 110.917 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.98 -37.77 66.92 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.031 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.565 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -70.33 -36.27 74.15 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.285 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.6 mt . . . . . 0 CA--C 1.502 -0.885 0 C-N-CA 123.233 0.613 . . . . 0.0 111.61 177.325 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.444 ' O ' HG22 ' A' ' 47' ' ' VAL . 26.9 pt . . . . . 0 CA--C 1.528 0.108 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.48 -38.74 92.3 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 120.983 0.42 . . . . 0.0 110.517 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.89 -18.75 62.66 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.917 0.389 . . . . 0.0 111.798 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -95.04 -34.23 12.4 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.661 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 43' ' ' ILE . 34.9 m -96.27 -10.62 8.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.1 mt -112.6 129.98 56.19 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 121.352 0.596 . . . . 0.0 110.95 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.16 155.39 38.44 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 174.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -54.1 -31.64 52.54 Favored 'General case' 0 C--N 1.307 -1.275 0 C-N-CA 123.294 0.638 . . . . 0.0 111.541 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.442 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 30.6 p -64.59 -46.26 83.46 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.472 0.654 . . . . 0.0 110.205 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.49 81.09 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.541 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -69.46 -31.18 69.31 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.003 0.43 . . . . 0.0 111.323 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.22 -45.78 65.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 173.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.468 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -56.8 -44.35 81.86 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.375 0.67 . . . . 0.0 110.022 176.505 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.61 -42.23 87.7 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 124.767 1.227 . . . . 0.0 110.668 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 t -66.5 -41.64 88.6 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.928 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -66.1 -28.95 69.21 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.317 0.579 . . . . 0.0 110.954 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -34.59 69.31 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 123.726 0.81 . . . . 0.0 109.51 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.05 65.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.132 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.53 -16.58 60.82 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.0 m -101.88 -53.72 7.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 119.689 -0.805 . . . . 0.0 112.512 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -151.05 101.7 3.01 Favored Pre-proline 0 CA--C 1.508 -0.647 0 C-N-CA 123.024 0.53 . . . . 0.0 110.006 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -60.75 -22.79 74.59 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.178 2.585 . . . . 0.0 111.889 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -34.16 77.2 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.849 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.409 ' HE2' ' HA ' ' A' ' 100' ' ' SER . 23.7 mmmt -80.01 -30.39 39.58 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 119.466 -0.893 . . . . 0.0 109.231 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m -59.99 -51.17 70.79 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.548 0.739 . . . . 0.0 109.929 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -64.83 -30.83 71.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.089 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.13 -43.49 70.86 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.875 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.09 -40.53 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.996 177.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 75' ' ' ILE . 48.2 mt-10 -56.79 -45.41 82.19 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 176.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -58.66 -41.69 86.66 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 123.58 0.752 . . . . 0.0 110.929 178.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -65.36 -43.97 89.13 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.838 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.45 -37.34 85.53 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.244 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 71' ' ' GLU . 81.0 mt -54.49 -50.26 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 174.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.63 -47.44 81.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.639 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.4 ttt -61.29 -41.87 97.69 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 123.572 0.749 . . . . 0.0 110.613 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.355 177.168 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.532 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 10.1 mptt . . . . . 0 N--CA 1.409 -2.487 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.2 t -80.26 136.23 23.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.9 m -92.26 -173.84 3.55 Favored 'General case' 0 C--O 1.249 1.045 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.46 ' O ' HG13 ' A' ' 93' ' ' ILE . 30.3 mt-10 -57.43 -48.12 79.97 Favored 'General case' 0 C--O 1.213 -0.841 0 C-N-CA 123.121 0.569 . . . . 0.0 111.537 -175.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -57.66 -41.87 82.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.515 0.509 . . . . 0.0 112.261 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.09 -39.74 88.56 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.2 tp -65.35 -36.23 83.37 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 120.836 0.35 . . . . 0.0 110.329 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 89' ' ' GLU . 90.2 mt -62.37 -37.07 77.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.574 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.92 -36.47 83.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.415 0.626 . . . . 0.0 109.706 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.406 ' HA ' ' HG2' ' A' ' 98' ' ' LYS . 83.1 mt -66.71 -38.87 82.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.574 176.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.6 -41.37 98.93 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.203 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 97' ' ' LYS . 8.1 mmpt? -63.73 -44.78 92.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.891 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.406 ' HG2' ' HA ' ' A' ' 95' ' ' ILE . 21.7 ptmt -71.31 -21.41 62.07 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.76 -2.99 9.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 C-N-CA 119.448 -0.901 . . . . 0.0 112.369 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.409 ' HA ' ' HE2' ' A' ' 66' ' ' LYS . 69.9 m . . . . . 0 N--CA 1.444 -0.727 0 O-C-N 123.329 0.393 . . . . 0.0 110.984 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.682 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -70.79 -40.66 72.44 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.691 0.758 . . . . 0.0 108.987 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -67.46 -35.87 80.05 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.435 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -63.6 -40.62 97.4 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 123.294 0.638 . . . . 0.0 109.357 176.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.3 -43.68 93.97 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.647 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -58.15 -47.14 84.26 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.8 92.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.752 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.6 tp -62.34 -42.47 99.41 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.337 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -60.46 -41.61 94.48 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 124.731 1.212 . . . . 0.0 110.577 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -78.22 -29.89 48.55 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.21 -42.2 93.7 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 173.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.426 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.56 -37.31 72.91 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.812 0.845 . . . . 0.0 108.995 176.637 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.822 178.137 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.1 pt . . . . . 0 C--O 1.216 -0.703 0 CA-C-O 120.735 0.302 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.1 mt -59.86 -40.27 88.04 Favored 'General case' 0 C--O 1.2 -1.527 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.53 -26.04 67.71 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -96.38 -19.26 19.34 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 121.468 0.652 . . . . 0.0 111.364 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.47 HG21 ' HB2' ' A' ' 78' ' ' ALA . 91.6 t -93.85 -44.66 13.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.268 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.3 mt -90.67 131.78 36.16 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.52 160.23 19.87 Favored 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 171.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -58.56 -34.09 70.65 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 122.421 0.288 . . . . 0.0 111.264 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 m -67.7 -34.21 76.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.91 69.62 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.464 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -44.76 96.29 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 120.822 0.344 . . . . 0.0 111.072 176.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.11 97.69 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.775 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.406 ' HD3' ' OE1' ' A' ' 89' ' ' GLU . 5.9 tpt180 -63.99 -41.3 97.55 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.66 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -49.12 78.47 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.453 1.101 . . . . 0.0 108.367 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.2 t -64.27 -29.82 70.9 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.161 -178.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -63.5 -40.68 97.72 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.729 0.299 . . . . 0.0 110.454 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.38 -32.19 66.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.348 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.54 78.19 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.623 0.725 . . . . 0.0 110.547 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.58 -24.01 62.69 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.97 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.2 m -97.7 -51.66 10.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 119.496 -0.882 . . . . 0.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -148.63 108.25 3.54 Favored Pre-proline 0 N--CA 1.466 0.357 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.95 -20.54 44.79 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.73 2.287 . . . . 0.0 112.003 -175.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.63 -35.64 78.48 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.857 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -79.99 -30.19 39.65 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.829 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 m -62.85 -51.99 64.88 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.357 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -60.58 -30.9 70.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.351 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.5 -49.05 62.56 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.473 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.57 -40.17 87.28 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 C-N-CA 119.834 -0.746 . . . . 0.0 111.458 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.422 ' O ' HG13 ' A' ' 75' ' ' ILE . 41.8 mt-10 -52.94 -50.44 64.02 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.969 0.507 . . . . 0.0 110.615 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.461 ' HA ' HD12 ' A' ' 75' ' ' ILE . 46.1 t-20 -62.48 -41.7 98.97 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.676 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -64.98 -36.98 86.13 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.284 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.75 -37.01 86.14 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.808 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 72' ' ' ASN . 64.8 mt -56.37 -48.18 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 175.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -62.21 -43.94 97.7 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.95 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.4 tpt -59.1 -45.4 90.96 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 122.896 0.478 . . . . 0.0 110.149 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.47 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 121.523 0.678 . . . . 0.0 110.561 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.423 -1.801 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.7 t -80.88 114.9 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.111 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 172.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 p -80.07 -179.72 7.17 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.607 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.443 ' O ' HG13 ' A' ' 93' ' ' ILE . 44.5 mt-10 -64.22 -44.77 90.86 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.408 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -61.33 -35.07 76.38 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.936 0.398 . . . . 0.0 110.703 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.3 -41.19 79.63 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.8 tp -66.33 -37.9 86.42 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.694 -0.253 . . . . 0.0 110.591 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 89' ' ' GLU . 97.8 mt -63.64 -35.47 72.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 122.532 0.333 . . . . 0.0 110.162 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.33 -43.95 96.3 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.96 -41.07 91.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.046 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 43.8 tp -62.27 -42.2 99.14 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.302 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -62.44 -32.61 73.5 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 122.671 0.388 . . . . 0.0 111.49 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.68 -56.22 11.59 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.65 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.1 m -75.64 -17.71 15.67 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.568 -175.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.439 -0.976 0 C-N-CA 123.828 0.851 . . . . 0.0 110.713 175.696 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.457 0 CA-C-O 120.739 0.304 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -73.31 -28.98 62.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.301 0.572 . . . . 0.0 109.767 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.04 -48.34 74.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.836 176.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 48.0 mt-10 -59.77 -38.96 83.27 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.58 -45.16 94.19 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.921 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -68.43 -35.61 77.87 Favored 'General case' 0 C--O 1.2 -1.524 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.994 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -49.9 75.91 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 90.9 mt -57.04 -48.41 78.59 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 121.566 0.698 . . . . 0.0 109.607 175.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -57.59 -49.79 75.25 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 124.663 1.185 . . . . 0.0 111.539 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -64.47 -43.63 93.58 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 123.996 0.918 . . . . 0.0 112.188 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -66.8 -45.09 79.5 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -59.35 -41.39 89.09 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.751 0.42 . . . . 0.0 110.498 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.1 tp . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.623 178.716 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.3 pt . . . . . 0 C--O 1.221 -0.416 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.03 -40.3 87.19 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 122.357 -0.214 . . . . 0.0 110.752 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.24 -18.82 65.59 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 176.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -93.23 -46.39 7.42 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.971 -0.456 . . . . 0.0 111.397 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.9 t -71.92 -43.04 68.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.458 HD23 ' HB ' ' A' ' 87' ' ' VAL . 86.0 mt -92.57 131.57 37.58 Favored 'General case' 0 N--CA 1.415 -2.213 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.71 152.67 18.3 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.844 172.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -53.98 -31.37 50.61 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 123.655 0.782 . . . . 0.0 112.116 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -75.15 -34.69 61.64 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.84 -38.14 76.42 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -64.09 -43.04 96.6 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.073 176.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.5 -42.3 95.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.666 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 6.5 tpt180 -60.92 -46.52 90.33 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD11 ' HA ' ' A' ' 67' ' ' THR . 40.2 tp -68.04 -30.07 69.21 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.461 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.2 t -64.42 -29.77 70.82 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.677 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -71.01 -39.95 72.07 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.08 -31.94 71.6 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.318 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.56 -21.93 66.65 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-O 121.295 0.569 . . . . 0.0 111.739 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.53 -35.43 22.88 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.129 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.54 -51.79 12.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.424 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -146.77 86.83 6.53 Favored Pre-proline 0 C--O 1.248 1.013 0 C-N-CA 122.464 0.306 . . . . 0.0 110.255 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -59.79 -17.93 45.96 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.537 2.158 . . . . 0.0 112.17 178.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.86 -44.16 77.81 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -78.41 -29.36 47.15 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.736 -175.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.411 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 7.5 m -59.57 -50.22 74.73 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -53.93 -46.32 71.47 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.45 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.13 -46.16 74.93 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.998 -176.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.7 m -67.57 -40.65 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 119.316 -0.953 . . . . 0.0 110.638 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.598 ' O ' HG13 ' A' ' 75' ' ' ILE . 56.2 mt-10 -63.78 -39.82 95.18 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -57.89 -44.38 86.67 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.387 1.075 . . . . 0.0 110.464 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -66.97 -43.43 83.1 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.253 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.08 -37.41 87.33 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 71' ' ' GLU . 91.7 mt -54.85 -45.05 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -67.62 -50.85 56.1 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.024 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.5 mmt -59.42 -36.14 75.33 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-O 120.907 0.384 . . . . 0.0 111.973 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.45 177.308 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.532 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 10.6 mptt . . . . . 0 N--CA 1.42 -1.974 0 CA-C-O 121.601 0.715 . . . . 0.0 111.905 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.458 ' HB ' HD23 ' A' ' 48' ' ' LEU . 47.2 t -84.47 118.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.6 p -81.29 178.95 8.07 Favored 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.405 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.501 ' OE2' ' HD3' ' A' ' 55' ' ' ARG . 30.8 mt-10 -57.74 -46.06 84.99 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 123.104 0.562 . . . . 0.0 110.657 179.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -62.06 -27.5 68.94 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.3 -42.48 11.85 Favored Glycine 0 N--CA 1.434 -1.451 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 35.1 tp -68.56 -33.87 74.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.663 0.268 . . . . 0.0 111.106 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 90.5 mt -60.03 -33.73 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.084 0.469 . . . . 0.0 110.533 176.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -68.22 -35.52 78.08 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.5 mm -69.29 -40.3 80.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.6 tp -59.22 -42.04 90.06 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.099 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.622 ' HE2' ' HA ' ' A' ' 97' ' ' LYS . 11.2 mmpt? -66.35 -35.73 81.09 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.493 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -66.79 -43.65 83.36 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.627 0.727 . . . . 0.0 109.503 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.7 m -80.29 -14.23 13.0 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.843 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.3 m . . . . . 0 N--CA 1.438 -1.041 0 CA-C-O 121.019 0.438 . . . . 0.0 109.987 173.07 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 120.668 0.27 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.27 -56.49 21.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.542 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.15 -47.08 84.22 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.441 -176.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -67.85 -26.94 66.29 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.0 tp -77.17 -49.6 14.83 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -59.68 -47.22 86.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.467 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.82 87.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.864 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.54 -40.77 76.66 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -65.56 -45.16 84.39 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.974 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -62.83 -29.0 70.4 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -62.84 -42.77 99.87 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -41.3 89.99 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 CA--C 1.555 1.151 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.252 179.368 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.7 pt . . . . . 0 C--O 1.24 0.587 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.35 -43.22 88.24 Favored 'General case' 0 C--O 1.206 -1.233 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.849 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.56 -21.07 66.14 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -89.08 -34.2 16.85 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.667 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.8 m -89.24 -31.56 5.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.1 mt -87.17 127.98 35.14 Favored 'General case' 0 CA--C 1.485 -1.528 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.482 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 15.1 t70 -76.89 175.65 9.29 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 174.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -48.33 -49.78 32.87 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 125.166 1.387 . . . . 0.0 113.971 -171.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.441 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 46.3 m -71.77 -42.2 67.44 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.273 -174.058 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.62 93.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.279 0.561 . . . . 0.0 110.23 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -62.92 -44.33 96.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.133 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.95 -36.91 83.28 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.828 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 58' ' ' ASN . 6.6 tpt180 -60.99 -51.56 68.75 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -176.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.405 ' HB3' HD21 ' A' ' 92' ' ' LEU . 2.2 pt? -69.85 -27.86 65.2 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 119.195 -1.002 . . . . 0.0 111.317 -177.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.8 m -60.18 -40.95 91.78 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.442 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 2.8 t-20 -61.01 -42.55 98.67 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.607 173.37 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.58 -35.92 66.31 Favored 'General case' 0 C--O 1.208 -1.103 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.07 -24.09 66.89 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.026 0.441 . . . . 0.0 112.151 -178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mp -99.46 -8.85 24.12 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -115.73 -43.42 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -143.33 81.84 12.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -65.92 -20.64 57.89 Favored 'Trans proline' 0 C--O 1.242 0.697 0 C-N-CA 123.043 2.495 . . . . 0.0 112.788 -173.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.5 -39.81 94.48 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HE3' ' HA ' ' A' ' 100' ' ' SER . 69.3 mmtt -73.65 -28.63 61.88 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.104 -176.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 5.3 m -57.06 -51.51 68.99 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -64.14 -33.66 76.28 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.678 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.72 -51.47 59.06 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.511 0.507 . . . . 0.0 110.428 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.57 -37.77 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.99 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.549 ' O ' HG13 ' A' ' 75' ' ' ILE . 54.9 mt-10 -56.23 -46.82 79.41 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -65.02 -46.25 82.12 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.315 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -59.41 -41.37 89.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.811 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.5 -38.24 86.82 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.749 176.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 71' ' ' GLU . 79.4 mt -58.5 -47.91 86.93 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 175.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -60.13 -43.51 95.61 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.923 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.3 tpt -58.94 -43.93 91.31 Favored 'General case' 0 C--O 1.249 1.049 0 C-N-CA 123.381 0.672 . . . . 0.0 109.556 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.732 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.053 176.311 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 32.4 mmtp . . . . . 0 C--O 1.244 0.801 0 CA-C-O 121.316 0.579 . . . . 0.0 112.518 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -83.0 117.5 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.347 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 173.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 m -76.18 171.79 13.91 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.784 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 1.4 tt0 -65.54 -38.15 88.79 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -175.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -68.31 -24.62 64.86 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.305 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.39 -39.88 61.02 Favored Glycine 0 N--CA 1.44 -1.07 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' A' ' 56' ' ' LEU . 44.1 tp -66.43 -38.68 87.96 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.95 -36.77 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.884 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -61.44 -44.83 96.43 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.412 ' HA ' ' HE2' ' A' ' 98' ' ' LYS . 86.3 mt -64.7 -48.41 84.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.826 176.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.61 ' HA ' HG22 ' A' ' 99' ' ' VAL . 26.7 tp -58.63 -39.27 80.03 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 124.659 1.184 . . . . 0.0 112.839 -175.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.01 -42.84 99.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.896 0.379 . . . . 0.0 111.751 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' ' 95' ' ' ILE . 41.2 mtmt -71.45 -46.49 59.83 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.742 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.61 HG22 ' HA ' ' A' ' 96' ' ' LEU . 26.7 m -62.7 -23.83 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.955 177.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.498 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 8.7 t . . . . . 0 CA--C 1.543 0.673 0 CA-C-O 121.295 0.569 . . . . 0.0 109.991 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.169 0.509 . . . . 0.0 112.21 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -78.74 -42.12 29.01 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.351 0.596 . . . . 0.0 109.673 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -55.87 -51.61 66.96 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 125.556 1.542 . . . . 0.0 111.693 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.94 -37.55 85.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.054 0.454 . . . . 0.0 110.999 -177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.4 tp -73.39 -40.91 63.96 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.981 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.32 -44.35 88.11 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.979 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.28 85.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.299 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.15 -52.83 63.9 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.24 176.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -60.25 -51.33 70.0 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.774 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -60.75 -41.16 94.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.613 -0.722 . . . . 0.0 112.035 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -67.28 -44.11 80.11 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 120.523 -0.471 . . . . 0.0 109.913 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 tpt85 -65.69 -29.34 69.87 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.888 -178.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 C--O 1.24 0.564 0 C-N-CA 123.316 0.646 . . . . 0.0 109.794 176.427 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 75' ' ' ILE . 29.9 pt . . . . . 0 N--CA 1.444 -0.732 0 CA-C-O 120.672 0.272 . . . . 0.0 111.671 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.94 -44.41 85.15 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 121.02 0.438 . . . . 0.0 110.654 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.91 -29.06 70.49 Favored 'General case' 0 C--N 1.307 -1.256 0 C-N-CA 123.933 0.893 . . . . 0.0 112.851 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -89.75 -26.54 20.57 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.587 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.7 m -88.97 -27.64 5.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.309 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.9 mt -100.72 124.26 46.08 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.504 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 32.5 t70 -65.31 160.5 21.58 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 171.207 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -48.22 -37.08 15.09 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 124.249 1.02 . . . . 0.0 111.247 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.7 p -67.22 -51.02 58.35 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.727 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.4 -35.26 78.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.722 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.496 ' NH1' HD23 ' A' ' 56' ' ' LEU . 17.5 tpt85 -62.26 -44.91 95.46 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.29 90.52 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.279 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -59.34 -35.59 74.14 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 123.552 0.741 . . . . 0.0 111.304 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.534 HD12 HD11 ' A' ' 59' ' ' LEU . 50.7 tp -63.2 -41.24 99.13 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.914 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -65.34 -35.82 82.14 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -60.45 -49.17 78.62 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.945 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.534 HD11 HD12 ' A' ' 56' ' ' LEU . 4.4 pp -71.93 -37.12 70.09 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.411 0.444 . . . . 0.0 111.981 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.624 ' HA ' ' OG1' ' A' ' 67' ' ' THR . . . -54.81 -28.12 47.04 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 124.158 0.983 . . . . 0.0 112.953 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.12 -13.46 30.69 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -115.42 -26.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.318 -0.553 . . . . 0.0 112.414 -177.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -144.56 73.71 15.42 Favored Pre-proline 0 C--N 1.308 -1.224 0 CA-C-O 121.85 0.833 . . . . 0.0 110.274 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -69.99 -23.51 29.64 Favored 'Trans proline' 0 C--O 1.244 0.82 0 C-N-CA 123.373 2.715 . . . . 0.0 113.882 -172.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -74.03 -34.72 64.21 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -78.34 -28.83 47.35 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.576 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.624 ' OG1' ' HA ' ' A' ' 60' ' ' ALA . 10.6 m -60.46 -43.81 96.53 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -57.33 -41.79 80.66 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.268 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.82 -46.58 71.46 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 123.863 0.727 . . . . 0.0 111.354 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.97 -43.33 89.26 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.091 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.768 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.508 ' O ' HG13 ' A' ' 75' ' ' ILE . 54.6 mt-10 -59.15 -48.12 82.77 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.556 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 26.8 t-20 -58.18 -43.59 87.6 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.733 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.406 ' HA ' HE21 ' A' ' 76' ' ' GLN . 50.0 t80 -62.49 -40.25 96.11 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.51 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.87 -41.82 91.13 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.825 175.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 71' ' ' GLU . 76.1 mt -55.63 -46.13 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 121.41 0.624 . . . . 0.0 110.517 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 21.2 pt20 -75.52 -44.63 42.62 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.9 ttp -67.43 -36.3 80.95 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.348 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 179.08 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.504 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 48.0 mmtm . . . . . 0 N--CA 1.43 -1.466 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 p -89.99 150.43 3.73 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 176.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 m -87.36 163.58 16.71 Favored 'General case' 0 C--N 1.289 -2.027 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -58.63 -45.44 89.25 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 120.951 0.405 . . . . 0.0 110.183 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -68.93 -18.65 64.13 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.34 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -78.77 -39.05 22.14 Favored Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 176.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.5 tp -70.07 -40.09 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.561 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 89.6 mt -63.08 -34.03 64.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.567 177.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.95 -35.92 81.75 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.401 ' O ' HG13 ' A' ' 99' ' ' VAL . 78.6 mt -70.21 -45.63 75.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.371 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 36.6 tp -57.21 -31.47 65.52 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.426 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 88.7 mttt -65.3 -53.94 36.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.643 177.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -68.65 -35.14 76.87 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -176.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 95' ' ' ILE . 19.0 m -62.07 -14.0 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.437 -1.102 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.844 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.872 0 CA-C-O 120.895 0.379 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -67.77 -32.34 72.86 Favored 'General case' 0 C--O 1.201 -1.463 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.775 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.92 -47.29 75.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.514 0.673 . . . . 0.0 109.411 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -68.22 -36.59 79.75 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.313 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.54 -32.21 69.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.266 0.555 . . . . 0.0 110.133 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -70.89 -38.21 73.02 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.65 70.99 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.229 0.537 . . . . 0.0 110.172 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.68 -41.19 92.71 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.176 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -69.87 -35.79 74.96 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.879 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -65.63 -31.32 72.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.289 175.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -65.2 -44.62 87.78 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 173.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -64.33 -30.07 71.13 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.075 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt . . . . . 0 C--N 1.308 -1.199 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 176.005 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.2 pt . . . . . 0 C--O 1.208 -1.089 0 N-CA-C 111.395 0.146 . . . . 0.0 111.395 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.25 -27.43 69.34 Favored 'General case' 0 C--O 1.203 -1.391 0 C-N-CA 122.531 0.332 . . . . 0.0 111.676 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.88 -29.55 67.87 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 120.898 0.38 . . . . 0.0 110.959 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 15.1 mm100 -96.56 -24.7 15.92 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.475 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 78' ' ' ALA . 93.5 t -89.54 -42.68 14.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.301 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -101.56 129.55 47.68 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.14 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -59.95 157.07 13.28 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.978 174.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -50.13 -35.77 27.18 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 124.402 1.081 . . . . 0.0 112.18 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.7 m -73.76 -37.3 65.08 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.454 0.645 . . . . 0.0 109.848 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.33 70.41 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.744 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -59.61 -37.87 79.74 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.019 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.11 92.65 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.522 0.677 . . . . 0.0 110.283 178.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -64.93 -47.63 77.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.692 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.28 -43.03 82.75 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.298 0.639 . . . . 0.0 110.605 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.5 m -63.28 -41.03 98.96 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.769 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -64.68 -42.97 94.98 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.568 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.31 -35.09 73.17 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.927 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.9 -21.8 63.7 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 123.621 0.768 . . . . 0.0 112.795 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.1 mp -91.86 -28.12 17.51 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -94.1 -52.76 9.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -175.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -136.56 81.5 35.69 Favored Pre-proline 0 C--O 1.247 0.923 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.96 -27.75 85.61 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.36 2.707 . . . . 0.0 112.654 -175.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -62.97 -39.33 94.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.022 0.439 . . . . 0.0 110.597 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -78.47 -29.6 46.93 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.186 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.4 m -63.23 -45.96 89.14 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -57.87 -47.18 83.48 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.805 0.842 . . . . 0.0 109.203 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.62 88.87 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.944 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.2 -41.53 75.23 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 CA-C-O 118.948 -0.549 . . . . 0.0 111.815 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.56 ' O ' HG13 ' A' ' 75' ' ' ILE . 47.0 mt-10 -53.32 -51.47 62.26 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.072 0.463 . . . . 0.0 109.835 176.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -58.95 -36.04 74.13 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.033 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -69.37 -44.07 72.3 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.34 -37.18 86.29 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.096 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 71' ' ' GLU . 68.7 mt -56.05 -46.28 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 CA-C-O 121.854 0.835 . . . . 0.0 108.792 174.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -64.25 -41.82 96.8 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.46 -1.246 . . . . 0.0 110.244 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.0 ttt -68.65 -39.2 80.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.216 0.532 . . . . 0.0 110.653 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.406 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . . . . . . 0 CA--C 1.513 -0.454 0 C-N-CA 123.807 0.843 . . . . 0.0 111.092 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 96.9 mttt . . . . . 0 N--CA 1.418 -2.057 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.87 132.02 33.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.2 m -86.19 179.57 6.91 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.674 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -55.01 -48.1 73.82 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.767 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -55.44 -48.78 73.92 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 124.358 1.036 . . . . 0.0 110.771 -176.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.91 -42.63 96.82 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.422 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.6 tp -63.69 -43.6 96.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 110.214 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.83 -34.46 70.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.599 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.65 -38.61 89.84 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.5 175.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.5 mt -66.73 -37.28 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.09 -48.44 80.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.752 176.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.04 -43.67 91.69 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.153 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.94 -49.24 78.48 Favored 'General case' 0 N--CA 1.432 -1.33 0 C-N-CA 123.213 0.605 . . . . 0.0 111.669 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.89 -18.86 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.308 -1.232 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 175.304 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -68.79 -25.99 64.98 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.474 0.654 . . . . 0.0 111.106 -177.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -69.17 -47.72 64.17 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.353 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.79 -32.61 69.77 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.914 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.86 -39.97 96.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.836 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -59.92 -47.13 87.03 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.13 88.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.885 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.62 -34.06 60.54 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -68.41 -31.11 70.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.274 0.559 . . . . 0.0 109.788 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 97.0 mtt180 -62.1 -37.93 86.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.81 174.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -67.28 -39.52 86.05 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -60.93 -39.37 89.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.126 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.319 -0.728 0 C-N-CA 123.849 0.86 . . . . 0.0 110.35 179.583 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.2 pt . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 120.642 0.258 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.49 -36.16 79.7 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.051 0.453 . . . . 0.0 110.355 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.11 -18.49 61.29 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.323 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 25.6 mm-40 -86.16 -37.02 19.15 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 120.918 0.389 . . . . 0.0 110.261 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.2 p -83.64 -32.94 9.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.806 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.0 mt -104.35 126.01 51.08 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.791 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -61.02 160.37 10.02 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.138 175.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -47.95 -38.96 17.89 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 124.541 1.137 . . . . 0.0 111.126 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.6 m -72.48 -36.08 68.34 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.292 0.568 . . . . 0.0 110.201 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.65 -36.37 65.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.987 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -62.3 -39.11 91.91 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.952 0.406 . . . . 0.0 110.106 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.88 -35.32 79.76 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.982 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 12.5 tpt180 -67.75 -36.73 81.07 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.997 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.37 -49.56 74.1 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.84 0.456 . . . . 0.0 111.274 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.8 t -64.02 -38.19 90.16 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.484 0.49 . . . . 0.0 109.855 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -58.01 -50.69 72.55 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.827 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.11 -37.07 84.82 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.439 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -62.86 -23.75 67.46 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 122.775 0.43 . . . . 0.0 112.127 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.78 -9.06 29.62 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 120.894 0.378 . . . . 0.0 111.323 -177.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.7 p -115.46 -44.6 3.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 C-N-CA 120.275 -0.57 . . . . 0.0 112.242 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -143.64 81.34 12.18 Favored Pre-proline 0 C--O 1.24 0.567 0 C-N-CA 122.3 0.24 . . . . 0.0 110.36 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.68 -23.76 76.89 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.822 2.348 . . . . 0.0 113.305 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -62.35 -38.82 90.99 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.731 0.3 . . . . 0.0 111.0 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.403 ' NZ ' ' HA ' ' A' ' 100' ' ' SER . 25.9 mmmt -79.34 -31.78 43.12 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.258 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 60' ' ' ALA . 3.8 m -62.35 -49.47 75.46 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.914 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -61.79 -32.81 73.12 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.854 0.359 . . . . 0.0 110.717 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.24 76.37 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.134 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.01 -41.42 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.961 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.449 ' O ' HG13 ' A' ' 75' ' ' ILE . 48.8 mt-10 -58.44 -43.65 88.85 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.382 0.134 . . . . 0.0 110.702 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -54.81 -40.43 69.52 Favored 'General case' 0 C--O 1.239 0.553 0 C-N-CA 123.698 0.799 . . . . 0.0 110.473 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -74.08 -51.99 14.04 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.933 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.32 -37.09 76.89 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 71' ' ' GLU . 68.2 mt -53.6 -50.48 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 123.166 0.291 . . . . 0.0 110.544 176.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -72.87 -41.3 64.85 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.677 -178.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.9 ttt -59.64 -41.81 91.36 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 122.987 0.515 . . . . 0.0 111.18 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.694 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.521 177.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 57.1 mtmt . . . . . 0 N--CA 1.426 -1.637 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.3 t -77.68 132.02 33.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.3 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.1 m -90.54 -170.82 2.85 Favored 'General case' 0 C--O 1.25 1.126 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.497 ' O ' HG13 ' A' ' 93' ' ' ILE . 51.3 mt-10 -58.45 -47.37 84.22 Favored 'General case' 0 C--O 1.199 -1.571 0 C-N-CA 122.75 0.42 . . . . 0.0 112.095 -175.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -61.02 -35.27 76.42 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-O 121.002 0.43 . . . . 0.0 111.597 -176.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.495 ' O ' HG12 ' A' ' 95' ' ' ILE . . . -69.97 -42.43 68.78 Favored Glycine 0 N--CA 1.434 -1.444 0 N-CA-C 110.251 -1.139 . . . . 0.0 110.251 176.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.5 tp -66.73 -38.24 86.27 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 122.509 0.324 . . . . 0.0 111.329 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.528 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 80.2 mt -59.54 -36.61 65.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.71 -35.22 74.87 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.225 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 91' ' ' GLY . 28.7 mm -63.35 -42.28 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 174.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.429 ' HA ' HG22 ' A' ' 99' ' ' VAL . 18.2 tp -62.29 -34.31 76.34 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.869 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 93' ' ' ILE . 32.4 mmmt -63.35 -48.49 77.75 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 176.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -59.03 -46.94 86.95 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.749 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 96' ' ' LEU . 19.8 m -73.36 -22.69 19.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.915 0.388 . . . . 0.0 112.033 -178.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 66' ' ' LYS . 66.5 m . . . . . 0 N--CA 1.438 -1.066 0 O-C-N 122.054 -0.404 . . . . 0.0 111.578 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.533 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.48 -34.2 60.87 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.14 -34.97 75.85 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.487 175.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -61.61 -44.04 97.74 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.787 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.0 tp -66.49 -42.61 87.18 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 123.496 0.498 . . . . 0.0 109.765 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 14.2 tp10 -57.47 -55.59 32.86 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.838 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.03 99.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.273 -177.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.474 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 6.7 tt -61.01 -52.59 64.36 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 123.677 0.611 . . . . 0.0 109.678 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.89 -43.48 95.89 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.283 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 79.1 mtp180 -64.54 -44.97 89.13 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.421 0.153 . . . . 0.0 111.281 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -63.24 -51.96 64.09 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.25 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.474 ' HD2' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -57.2 -38.19 73.31 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.456 0.473 . . . . 0.0 111.647 178.291 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 C--N 1.331 -0.219 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -179.777 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.4 pt . . . . . 0 C--O 1.211 -0.967 0 CA-C-O 120.791 0.329 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.5 mt -75.48 -34.26 60.87 Favored 'General case' 0 C--O 1.206 -1.195 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.163 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.9 -26.76 40.11 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -177.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -83.03 -26.96 30.68 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.098 0.475 . . . . 0.0 109.919 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.2 t -92.12 -45.69 14.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.03 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.479 HD23 ' HB ' ' A' ' 87' ' ' VAL . 92.6 mt -89.8 129.55 36.18 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -61.93 162.7 8.68 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -53.52 -36.45 61.78 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 123.608 0.763 . . . . 0.0 110.03 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 m -68.02 -40.77 82.86 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.613 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.28 -35.72 68.8 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.24 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -61.77 -40.37 94.95 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.763 0.316 . . . . 0.0 110.194 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.97 -47.22 69.18 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.661 177.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -57.12 -44.42 83.29 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 122.775 0.43 . . . . 0.0 110.731 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.46 HD21 ' HG2' ' A' ' 71' ' ' GLU . 57.7 tp -62.3 -42.37 99.3 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.2 m -63.02 -38.76 92.48 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.566 0.698 . . . . 0.0 110.85 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -72.35 -32.04 66.13 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.573 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -68.82 -36.48 78.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.457 ' HA ' ' OG1' ' A' ' 67' ' ' THR . . . -58.51 -25.5 62.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.838 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.7 mt -81.75 -38.72 25.25 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.685 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -75.14 -38.74 42.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.625 -0.43 . . . . 0.0 112.096 -177.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -169.67 104.68 0.46 Allowed Pre-proline 0 C--O 1.243 0.717 0 C-N-CA 122.812 0.445 . . . . 0.0 111.227 173.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.471 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 49.1 Cg_endo -68.85 -10.16 28.34 Favored 'Trans proline' 0 CA--C 1.534 0.496 0 C-N-CA 123.041 2.494 . . . . 0.0 113.436 -175.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.05 -41.1 87.07 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.187 0.517 . . . . 0.0 110.097 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -78.8 -29.22 44.76 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.532 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.471 ' OG1' ' HA ' ' A' ' 64' ' ' PRO . 6.6 m -59.74 -50.9 72.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.187 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -64.6 -30.73 71.76 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.766 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.83 79.54 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.411 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.0 m -71.89 -42.42 69.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.874 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.46 ' HG2' HD21 ' A' ' 56' ' ' LEU . 47.3 mt-10 -56.27 -52.27 65.11 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.664 0.269 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -61.47 -36.17 79.69 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.188 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.01 -48.11 77.62 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.728 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.31 -37.78 88.6 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.609 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 71' ' ' GLU . 78.1 mt -55.79 -49.37 75.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 O-C-N 123.372 0.42 . . . . 0.0 110.018 175.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.29 -50.06 71.6 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.8 mmt -63.51 -32.04 73.38 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -177.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.956 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 N--CA 1.433 -1.307 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.479 ' HB ' HD23 ' A' ' 48' ' ' LEU . 59.8 t -97.98 114.16 34.57 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.62 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 173.057 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.539 ' HB2' ' OE1' ' A' ' 90' ' ' GLN . 13.5 m -82.79 -178.68 7.19 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.59 -42.96 99.61 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 118.489 0.586 . . . . 0.0 111.713 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.539 ' OE1' ' HB2' ' A' ' 88' ' ' SER . 0.0 OUTLIER -61.15 -24.15 66.08 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 177.419 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -84.21 -32.91 21.84 Favored Glycine 0 N--CA 1.437 -1.291 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 56.5 tp -71.49 -41.86 68.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.18 -33.18 57.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.655 177.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.58 -47.75 82.47 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.909 178.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.423 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 66.8 mt -71.15 -35.6 59.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.975 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.08 -52.6 65.05 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.145 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -63.47 -32.29 73.69 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.222 0.534 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 95' ' ' ILE . 41.2 ttmt -63.37 -50.62 69.2 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.452 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.8 m -79.34 -23.27 12.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.443 -0.796 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.247 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.784 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.1 m 59.74 20.94 9.7 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.873 1.269 . . . . 0.0 112.583 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.37 -38.82 68.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.626 -175.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -69.78 -34.99 74.51 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.02 -49.43 57.76 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.89 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -67.86 -27.99 67.16 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -68.31 -48.05 65.94 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.525 ' OE2' ' HD3' ' A' ' 10' ' ' ARG . 11.5 tp10 -65.86 -30.3 70.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.348 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.55 -36.38 71.56 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.742 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.92 -39.1 93.0 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 120.931 0.396 . . . . 0.0 111.597 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.525 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 66.6 ttt180 -70.88 -48.06 55.79 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.61 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HD3' ' HG3' ' A' ' 7' ' ' GLU . 34.6 mtp180 -65.14 -29.54 70.38 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.52 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 28.6 tt0 -60.95 -47.14 87.79 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 6.2 mpt_? -57.43 -36.34 71.26 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.013 0.435 . . . . 0.0 111.478 176.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -72.6 -47.8 44.93 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.221 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.76 -45.45 51.8 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.686 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 19.4 mm-40 -70.41 -23.52 62.76 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.746 -176.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 1.8 tm? -57.15 -48.6 78.3 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 177.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 64.64 89.24 0.09 Allowed 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.519 -177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.95 108.15 5.05 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.623 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.95 166.17 11.91 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 173.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -101.65 -5.1 25.46 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.016 0.436 . . . . 0.0 111.149 175.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.16 -40.2 2.56 Favored Glycine 0 CA--C 1.491 -1.454 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.929 172.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -110.14 150.29 41.28 Favored Pre-proline 0 C--N 1.288 -2.078 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -101.02 31.15 0.1 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 122.963 2.442 . . . . 0.0 111.61 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.23 -161.23 9.07 Favored Glycine 0 N--CA 1.427 -1.927 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.832 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.7 t70 48.78 -90.91 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.813 1.645 . . . . 0.0 113.294 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.41 -30.95 70.85 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 120.688 0.28 . . . . 0.0 110.693 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.64 -28.24 63.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.841 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -73.4 -43.9 59.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.45 0.643 . . . . 0.0 109.335 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -67.77 -38.55 83.54 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.967 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 34.9 tt0 -58.7 -50.84 72.39 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.929 176.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.47 -46.19 80.52 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.075 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -65.99 -37.69 86.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.397 0.618 . . . . 0.0 110.417 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -63.54 -40.79 97.91 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.903 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 40.1 mtp180 -66.43 -31.01 71.5 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.837 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.5 -45.96 90.62 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.44 0.638 . . . . 0.0 109.723 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.18 -40.76 67.68 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.507 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -56.31 -45.26 80.36 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 123.767 0.827 . . . . 0.0 111.323 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -65.33 -37.88 88.41 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.291 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.428 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 83.3 mtt85 -74.71 -42.42 58.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.273 0.559 . . . . 0.0 110.269 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -64.8 -44.44 89.92 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 123.759 0.824 . . . . 0.0 111.501 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.472 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 30.5 p -61.93 -47.11 86.4 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.0 pt -64.69 -40.06 87.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.685 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 92.1 mt -67.1 -36.74 82.62 Favored 'General case' 0 C--O 1.212 -0.89 0 O-C-N 122.41 -0.181 . . . . 0.0 111.447 178.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.3 -21.88 59.53 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.981 0.419 . . . . 0.0 111.849 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 42' ' ' SER . 90.4 mt-30 -93.99 -29.99 14.95 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 120.815 0.34 . . . . 0.0 111.241 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.735 HG13 ' HG ' ' A' ' 83' ' ' LEU . 30.8 t -85.31 -45.98 17.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.163 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.441 HD23 ' HB ' ' A' ' 87' ' ' VAL . 90.1 mt -92.38 129.15 38.4 Favored 'General case' 0 C--N 1.28 -2.439 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 176.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.412 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 12.1 t70 -80.54 -178.14 6.57 Favored 'General case' 0 C--N 1.28 -2.442 0 C-N-CA 117.867 -1.533 . . . . 0.0 109.451 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -56.26 -39.16 72.17 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 123.627 0.771 . . . . 0.0 112.217 -174.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 p -65.41 -42.69 92.3 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.302 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.7 -38.34 80.22 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.469 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.566 ' HG2' HH11 ' A' ' 53' ' ' ARG . 0.0 OUTLIER -63.62 -42.97 98.13 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.5 175.738 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.27 -39.29 89.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.35 0.595 . . . . 0.0 110.662 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -70.79 -37.64 73.32 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.796 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.5 tp -63.75 -40.41 96.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.003 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.2 m -60.76 -47.48 86.13 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.679 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -66.8 -29.34 69.26 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.446 0.641 . . . . 0.0 110.253 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.88 -39.93 76.01 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -66.13 -28.83 69.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.477 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.89 -43.59 71.48 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.118 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.7 m -77.13 -51.94 17.66 Favored 'Isoleucine or valine' 0 C--O 1.246 0.892 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.518 ' HE3' ' HG2' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -155.37 94.33 2.6 Favored Pre-proline 0 C--O 1.246 0.899 0 CA-C-O 121.22 0.533 . . . . 0.0 111.51 179.044 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.505 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 23.9 Cg_endo -62.14 -17.24 55.47 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.132 2.554 . . . . 0.0 113.979 -176.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.429 ' OE1' ' HB2' ' A' ' 63' ' ' LYS . 2.7 mp0 -54.32 -49.38 69.82 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.621 0.724 . . . . 0.0 109.821 178.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.518 ' HG2' ' HE3' ' A' ' 63' ' ' LYS . 25.5 mmmt -78.62 -28.78 45.64 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.981 -175.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.446 HG21 ' HB2' ' A' ' 60' ' ' ALA . 7.4 m -56.17 -46.41 79.36 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 28.8 mtpp -57.08 -39.57 75.23 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.372 0.669 . . . . 0.0 111.237 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.89 -45.63 64.0 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.933 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.22 -35.27 52.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' O ' HG13 ' A' ' 75' ' ' ILE . 51.7 mt-10 -59.52 -47.54 85.15 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.517 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 23.9 t-20 -60.67 -43.86 97.16 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.566 177.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -61.9 -45.37 94.02 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.433 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.67 -37.4 86.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.871 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 71' ' ' GLU . 77.5 mt -58.1 -40.33 76.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 56.6 mm-40 -65.99 -50.05 65.67 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.3 ttt -61.32 -38.09 85.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.453 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.471 ' HA ' HD23 ' A' ' 83' ' ' LEU . . . -67.27 -32.01 72.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.004 176.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -71.04 -19.0 62.55 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.178 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.433 ' HD1' ' O ' ' A' ' 76' ' ' GLN . 39.1 m-85 -77.68 -17.82 57.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.913 0.387 . . . . 0.0 110.958 175.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.82 25.6 75.11 Favored Glycine 0 C--O 1.226 -0.348 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -92.45 4.44 53.47 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.735 ' HG ' HG13 ' A' ' 47' ' ' VAL . 2.9 mm? -94.67 90.98 6.31 Favored 'General case' 0 CA--C 1.485 -1.553 0 C-N-CA 119.326 -0.95 . . . . 0.0 112.063 -176.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.1 m -86.35 -42.69 13.47 Favored 'General case' 0 N--CA 1.41 -2.457 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -102.75 164.97 11.32 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.181 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 33.2 mmtp -76.15 143.84 40.93 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.578 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.441 ' HB ' HD23 ' A' ' 48' ' ' LEU . 93.3 t -79.11 116.64 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.894 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 171.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.8 p -80.65 174.06 11.99 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.236 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.412 ' O ' HG13 ' A' ' 93' ' ' ILE . 46.2 mt-10 -59.37 -46.12 89.53 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.395 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 94' ' ' GLU . 11.5 pt20 -60.58 -35.41 76.01 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 123.581 0.551 . . . . 0.0 110.598 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.69 -45.47 65.81 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.63 -39.9 89.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.539 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 93.6 mt -67.67 -37.4 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.928 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 61.7 mm-40 -62.3 -44.08 97.33 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.622 ' O ' HG23 ' A' ' 99' ' ' VAL . 82.5 mt -61.58 -51.06 77.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.542 176.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 41.6 tp -51.88 -39.05 58.36 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.106 0.962 . . . . 0.0 111.315 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 99.4 mttt -58.83 -48.33 81.72 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.632 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.574 ' O ' ' HB ' ' A' ' 103' ' ' THR 0.326 0.0 OUTLIER -74.88 -23.63 58.42 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 119.609 -0.836 . . . . 0.0 112.78 -176.739 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 95' ' ' ILE . 2.9 t -93.82 -7.7 10.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.021 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.173 -176.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.5 p -47.11 -45.13 21.97 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.673 1.189 . . . . 0.0 114.114 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -92.85 -71.77 0.63 Allowed 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 173.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -177.15 104.73 0.05 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.111 0.964 . . . . 0.0 110.885 175.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.574 ' HB ' ' O ' ' A' ' 98' ' ' LYS . 91.2 m -151.85 79.57 1.26 Allowed 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 174.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.76 -10.05 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.019 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -80.71 88.9 5.74 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.0 t -88.81 157.19 18.55 Favored 'General case' 0 N--CA 1.416 -2.132 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.7 m -79.31 76.37 5.87 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-O 121.946 0.879 . . . . 0.0 110.133 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 58.7 m -164.94 146.0 7.61 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.2 m -82.91 96.44 3.86 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-O 121.827 0.822 . . . . 0.0 110.441 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -92.95 144.19 25.5 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.64 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -83.01 168.32 17.08 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.258 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 . . . . . 0 C--N 1.306 -1.289 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 -178.5 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.676 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.545 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 19.6 m -62.13 114.94 3.71 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 122.796 0.438 . . . . 0.0 110.411 177.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.86 -48.94 63.78 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 124.263 1.025 . . . . 0.0 112.85 -175.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -68.07 -34.51 76.57 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.402 -176.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -70.75 -49.87 42.17 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 1' ' ' SER . 64.9 mm-40 -56.97 -45.58 82.81 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.077 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.06 -54.13 47.01 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.087 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -65.74 -38.94 90.51 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.65 90.93 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.913 0.387 . . . . 0.0 110.598 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.22 -48.3 36.2 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.063 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -63.67 -40.26 96.39 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -175.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -64.89 -30.24 71.22 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.913 0.387 . . . . 0.0 111.734 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -74.67 -49.68 20.42 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -58.86 -34.81 72.02 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.802 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.89 -39.22 72.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.131 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.95 93.13 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.286 0.565 . . . . 0.0 109.871 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -57.31 -49.5 75.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.591 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -66.36 -46.61 76.15 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.187 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -47.83 -49.46 29.07 Favored 'General case' 0 C--O 1.245 0.864 0 O-C-N 124.758 1.286 . . . . 0.0 109.72 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 169.44 120.45 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 124.544 1.152 . . . . 0.0 111.075 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -85.75 -46.84 10.31 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 170.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 168.87 -25.85 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 114.177 -1.374 . . . . 0.0 109.149 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.22 -5.7 49.89 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.701 -0.681 . . . . 0.0 114.255 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -99.2 127.99 33.17 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 176.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.93 -18.59 46.68 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.518 2.145 . . . . 0.0 113.832 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.05 21.61 78.9 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 -176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 17.5 t70 -74.51 -37.71 63.04 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -176.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.67 -29.4 69.4 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.732 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.0 78.06 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.395 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.438 ' HG2' ' HA ' ' A' ' 26' ' ' ASP . 12.8 pt20 -71.45 -37.56 71.37 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.372 178.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 26' ' ' ASP . 79.7 mt-30 -58.52 -46.33 86.99 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 176.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.09 -51.6 67.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.344 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.97 92.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.068 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -69.21 -33.59 73.56 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.387 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -63.26 -38.78 92.49 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -64.79 -40.32 95.04 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 24.3 mt-10 -62.68 -47.48 83.48 Favored 'General case' 0 C--O 1.189 -2.122 0 O-C-N 123.628 0.58 . . . . 0.0 110.875 176.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.63 -53.54 18.16 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.701 0.8 . . . . 0.0 111.993 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.49 -37.12 86.44 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 84.8 mtp -74.29 -41.08 61.77 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.051 0.453 . . . . 0.0 111.62 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 15.9 mmt180 -63.71 -45.67 88.93 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -56.83 -35.25 68.61 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.933 -175.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -55.79 -51.21 68.24 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 123.04 0.213 . . . . 0.0 111.121 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.55 HD13 ' H ' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -78.51 -44.52 26.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 174.581 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.5 mt -59.4 -42.45 91.77 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -173.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.17 -18.57 62.48 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 120.741 0.305 . . . . 0.0 111.6 -176.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -84.89 -26.63 27.18 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 120.723 0.297 . . . . 0.0 111.457 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.5 m -95.97 -41.68 11.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.512 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.3 mt -79.67 125.76 30.05 Favored 'General case' 0 CA--C 1.492 -1.265 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 6.2 t70 -76.98 179.93 5.91 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 176.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -48.52 -50.36 32.24 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -169.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 m -81.32 -22.19 38.69 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-O 121.138 0.494 . . . . 0.0 111.111 -173.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.35 -35.39 79.27 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.462 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -31.4 66.32 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 118.962 -1.095 . . . . 0.0 110.625 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.14 76.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.461 ' HD2' ' OE1' ' A' ' 89' ' ' GLU . 5.0 tpm_? -55.7 -46.42 77.66 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.311 1.044 . . . . 0.0 109.708 175.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.32 -47.05 85.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.235 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 25.7 t -63.33 -40.08 96.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.08 0.467 . . . . 0.0 109.985 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -64.35 -44.03 92.73 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -40.53 97.5 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.244 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.57 -33.7 73.09 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.866 0.866 . . . . 0.0 111.92 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 57' ' ' SER . 97.9 mt -73.38 -44.59 58.25 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.739 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.3 m -75.22 -59.72 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -135.77 92.11 17.16 Favored Pre-proline 0 CA--C 1.51 -0.558 0 CA-C-N 118.673 0.67 . . . . 0.0 109.85 178.719 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.12 -13.02 35.3 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 123.299 2.666 . . . . 0.0 112.922 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.33 -38.58 81.66 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 121.387 0.613 . . . . 0.0 109.829 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -79.48 -30.48 42.06 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.619 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.505 ' HA ' HG22 ' A' ' 70' ' ' VAL . 1.9 m -62.25 -40.73 97.18 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -53.46 -45.66 69.63 Favored 'General case' 0 C--O 1.246 0.913 0 C-N-CA 124.209 1.004 . . . . 0.0 109.98 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.22 -51.12 33.29 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.565 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 67' ' ' THR . 35.3 m -63.53 -39.61 85.96 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.611 ' O ' HG12 ' A' ' 75' ' ' ILE . 42.4 mt-10 -54.64 -53.1 59.15 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -56.8 -48.17 78.58 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.795 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -65.35 -42.16 93.1 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.298 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.22 -40.51 94.19 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 121.35 -0.14 . . . . 0.0 111.362 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 71' ' ' GLU . 44.5 mm -61.1 -45.76 97.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 177.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.407 ' O ' ' HD2' ' A' ' 80' ' ' TYR . 7.0 tp60 -62.59 -46.83 86.52 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.573 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.45 ' HG3' ' HG3' ' A' ' 82' ' ' GLN . 55.0 ttm -59.07 -46.18 88.92 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.65 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.18 -37.32 84.84 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.756 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.34 -28.9 68.36 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.407 ' HD2' ' O ' ' A' ' 76' ' ' GLN . 77.6 m-85 -86.71 -20.35 27.85 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.327 177.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.63 22.56 78.65 Favored Glycine 0 CA--C 1.507 -0.457 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.45 ' HG3' ' HG3' ' A' ' 77' ' ' MET . 4.0 pt20 -82.83 27.9 0.52 Allowed 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.543 0.737 . . . . 0.0 111.035 -176.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.64 145.88 38.54 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.938 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 34.9 m -145.58 93.41 2.35 Favored 'General case' 0 C--N 1.28 -2.434 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 84' ' ' SER . 9.7 tp10 79.3 164.57 0.2 Allowed 'General case' 0 C--O 1.244 0.813 0 O-C-N 124.892 1.37 . . . . 0.0 109.497 -174.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 33.5 mmtp -64.95 146.57 54.81 Favored 'General case' 0 N--CA 1.42 -1.934 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.285 175.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.3 t -83.11 111.2 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.136 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 172.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 p -93.84 -170.66 2.38 Favored 'General case' 0 C--N 1.283 -2.29 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.461 ' OE1' ' HD2' ' A' ' 55' ' ' ARG . 42.7 mt-10 -62.67 -37.28 85.78 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 174.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -61.21 -50.27 73.8 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.55 0.531 . . . . 0.0 109.675 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.18 -42.82 99.73 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.453 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.8 tp -67.86 -38.87 83.67 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 122.807 -0.231 . . . . 0.0 110.492 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.62 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 78.4 mt -65.3 -36.77 78.5 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 177.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -62.52 -46.99 85.87 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.471 ' HA ' ' HD3' ' A' ' 98' ' ' LYS . 98.3 mt -63.99 -37.35 79.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.098 0.475 . . . . 0.0 110.298 176.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.56 -41.62 97.64 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.831 176.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.62 ' HG2' ' O ' ' A' ' 93' ' ' ILE . 34.3 mmtp -61.68 -46.32 90.22 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 28.9 mtpp -54.73 -46.27 74.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.285 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.9 m -82.28 -19.03 10.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.4 m -86.67 -54.9 4.12 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 121.608 -0.683 . . . . 0.0 112.016 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -69.48 -55.24 10.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.104 -173.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -100.14 -25.26 14.34 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.834 -177.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 49.1 m 65.24 73.49 0.41 Allowed 'General case' 0 N--CA 1.432 -1.34 0 C-N-CA 124.15 0.98 . . . . 0.0 109.017 -171.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -91.81 109.18 20.5 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.003 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -155.56 159.92 40.08 Favored 'General case' 0 C--N 1.287 -2.13 0 N-CA-C 103.79 -2.671 . . . . 0.0 103.79 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.5 m -71.8 85.83 0.94 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 121.734 0.778 . . . . 0.0 109.508 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 58.9 m -158.41 134.28 9.05 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -157.09 158.3 36.14 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 38.8 t -112.76 -45.14 5.07 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -136.11 130.88 34.03 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.027 -177.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -90.92 -46.38 8.21 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 171.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.31 -1.135 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 177.237 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.637 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.2 m -149.76 112.07 4.68 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.97 -40.56 61.08 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.264 1.025 . . . . 0.0 113.039 -175.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.22 -36.76 85.16 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-O 121.497 0.665 . . . . 0.0 111.569 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -78.83 -52.45 8.32 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.049 -176.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.02 -28.85 70.38 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tt -57.88 -49.14 77.73 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -78.44 -40.37 35.96 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.063 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.42 -52.28 65.88 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.399 0.437 . . . . 0.0 111.644 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.36 -50.27 72.25 Favored 'General case' 0 CA--C 1.5 -0.97 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.454 HH22 ' CG ' ' A' ' 23' ' ' ASP . 36.5 ttt180 -63.65 -42.67 98.08 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 120.364 -0.535 . . . . 0.0 112.042 -175.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -47.8 82.53 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.623 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 49.1 tt0 -61.91 -47.61 84.16 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.523 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -56.2 -42.63 77.48 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.176 0.99 . . . . 0.0 111.214 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.85 -41.31 95.8 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.869 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' A' ' 19' ' ' ALA . . . -65.69 -41.74 92.04 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.068 0.855 . . . . 0.0 110.795 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 55.7 mm-40 -54.78 -46.81 74.49 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 124.274 1.03 . . . . 0.0 110.754 177.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HG2' ' A' ' 18' ' ' GLN . 3.1 tm? -66.75 -58.66 4.63 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.817 -178.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.423 ' HG2' HD13 ' A' ' 17' ' ' LEU . 51.0 mm-40 -157.53 -26.55 0.09 Allowed 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.466 ' HB2' ' HA ' ' A' ' 15' ' ' ALA . . . 81.95 108.26 0.06 Allowed 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 125.312 1.445 . . . . 0.0 111.726 -177.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -161.64 150.34 15.67 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -139.32 19.31 2.57 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.8 58.55 5.01 Favored Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.273 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' CG ' HH22 ' A' ' 10' ' ' ARG . 1.8 p-10 -149.13 123.26 4.69 Favored Pre-proline 0 C--N 1.303 -1.438 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 176.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -93.91 20.91 0.63 Allowed 'Trans proline' 0 N--CA 1.444 -1.395 0 C-N-CA 122.218 1.945 . . . . 0.0 110.423 173.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.98 -57.6 0.42 Allowed Glycine 0 N--CA 1.439 -1.132 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.186 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -61.86 -31.67 71.95 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.73 -43.86 78.96 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.495 0.188 . . . . 0.0 111.377 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.84 -43.34 93.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.056 -175.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -65.1 -38.22 90.0 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.581 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -68.27 -35.61 78.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.18 0.514 . . . . 0.0 110.838 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -69.74 -32.71 71.4 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.954 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.77 77.49 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.755 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -69.06 -26.12 64.8 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.019 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.402 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 60.9 t-80 -65.72 -51.61 57.9 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -68.6 -23.93 64.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.53 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -54.04 -47.87 71.13 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.466 1.106 . . . . 0.0 108.915 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.53 -43.39 63.59 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.49 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 34' ' ' HIS . 42.6 mt-10 -57.02 -49.53 75.5 Favored 'General case' 0 C--O 1.2 -1.507 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -175.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 93.7 mmm -62.02 -39.5 92.51 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -175.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.4 ttp-105 -69.8 -42.35 73.85 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.296 0.57 . . . . 0.0 109.833 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -64.19 -38.92 92.78 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.963 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.496 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 69.6 m -59.51 -45.75 90.83 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 123.568 0.747 . . . . 0.0 111.933 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.404 ' O ' HG22 ' A' ' 47' ' ' VAL . 26.5 pt -66.52 -38.39 81.58 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.398 -178.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.03 -42.23 94.53 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.049 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.43 -18.93 64.54 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 71.8 mm-40 -97.32 -38.06 9.8 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 120.971 -0.291 . . . . 0.0 111.727 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 43' ' ' ILE . 22.8 m -80.6 -25.45 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.513 -178.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -106.29 130.46 54.13 Favored 'General case' 0 N--CA 1.416 -2.132 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.87 156.73 32.5 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -52.72 -36.45 57.5 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 123.84 0.856 . . . . 0.0 113.001 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.5 m -73.65 -29.67 62.47 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.289 0.566 . . . . 0.0 110.269 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.94 -35.42 62.14 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -60.05 -39.69 86.83 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.344 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.87 -44.32 70.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.098 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 55' ' ' ARG . 8.8 tpt180 -56.44 -47.55 78.88 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.881 0.872 . . . . 0.0 109.91 178.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 tp -56.95 -47.09 81.5 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.09 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.456 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 49.0 m -62.11 -42.85 99.64 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.702 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -62.91 -38.34 90.6 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.141 0.496 . . . . 0.0 110.164 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.57 -39.3 91.51 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.533 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -62.24 -29.31 70.31 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.464 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 57' ' ' SER . 98.1 mt -77.38 -26.34 51.74 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.29 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 m -93.75 -45.46 13.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.765 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -161.3 102.34 1.23 Allowed Pre-proline 0 C--O 1.243 0.712 0 CA-C-O 121.51 0.672 . . . . 0.0 112.159 173.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.487 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 48.7 Cg_endo -67.06 -8.53 22.06 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.539 2.826 . . . . 0.0 114.078 -176.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -44.36 95.0 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -77.28 -29.2 53.73 Favored 'General case' 0 C--N 1.309 -1.163 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.817 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.533 HG21 ' HB2' ' A' ' 60' ' ' ALA . 7.1 m -61.28 -51.13 70.21 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.585 177.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -62.78 -31.16 72.07 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.665 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.64 -51.18 53.09 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.356 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.412 HG12 HG22 ' A' ' 95' ' ' ILE . 30.4 m -65.74 -39.16 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.892 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 75' ' ' ILE . 55.9 mt-10 -63.36 -51.84 64.22 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 121.289 -0.164 . . . . 0.0 110.65 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -55.65 -43.65 76.45 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 123.653 0.595 . . . . 0.0 110.145 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -60.26 -51.7 68.43 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.538 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.94 -42.61 99.31 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 71' ' ' GLU . 72.0 mt -52.93 -49.08 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-O 121.227 0.537 . . . . 0.0 110.296 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.492 ' O ' ' HD1' ' A' ' 80' ' ' TYR . 95.1 mt-30 -73.9 -51.2 16.9 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.293 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.5 ttt -59.29 -39.94 84.58 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 123.368 0.667 . . . . 0.0 111.375 -174.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.49 -39.42 91.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.567 0.222 . . . . 0.0 111.242 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -68.74 -13.02 62.12 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.492 ' HD1' ' O ' ' A' ' 76' ' ' GLN . 45.3 m-85 -95.81 8.36 43.75 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.184 0.516 . . . . 0.0 110.741 175.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.57 4.07 89.35 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.665 -0.698 . . . . 0.0 113.163 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -72.58 -23.85 61.02 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.707 -0.29 . . . . 0.0 111.484 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.435 ' HA ' HD13 ' A' ' 83' ' ' LEU . 3.2 mm? -112.29 113.43 25.64 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-O 121.257 0.551 . . . . 0.0 111.975 175.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.4 t -126.71 5.5 6.72 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -125.57 167.15 15.46 Favored 'General case' 0 N--CA 1.435 -1.222 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 46.1 mtmt -92.72 134.42 35.06 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 120.962 0.41 . . . . 0.0 110.082 175.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.4 t -87.07 117.65 31.63 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.236 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -86.06 -179.8 6.83 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.518 ' O ' HG13 ' A' ' 93' ' ' ILE . 46.2 mt-10 -56.03 -48.53 75.8 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 118.301 0.5 . . . . 0.0 111.625 -178.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -59.43 -34.86 73.01 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.722 0.639 . . . . 0.0 111.297 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.64 -34.85 52.84 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.7 tp -74.03 -27.76 61.09 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 89' ' ' GLU . 97.4 mt -64.93 -31.45 53.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.3 -42.38 99.03 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.503 ' O ' ' HB2' ' A' ' 98' ' ' LYS . 29.5 mm -69.15 -39.64 79.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.617 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.2 tp -64.81 -42.17 95.21 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.208 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.85 -37.1 85.49 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.53 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.579 ' HB3' ' HA ' ' A' ' 104' ' ' GLU . 94.9 mttt -56.78 -58.18 9.25 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 121.466 0.651 . . . . 0.0 111.109 176.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.38 -21.05 19.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.037 -0.983 . . . . 0.0 113.133 -172.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.0 p -83.63 -19.53 35.28 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -105.15 -38.88 6.4 Favored 'General case' 0 C--N 1.311 -1.081 0 C-N-CA 119.088 -1.045 . . . . 0.0 111.811 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -132.7 -91.24 0.39 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.26 0.553 . . . . 0.0 110.422 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 55.4 m -160.95 -56.02 0.05 Allowed 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 98' ' ' LYS . 11.2 pt-20 -151.26 164.34 36.84 Favored 'General case' 0 N--CA 1.415 -2.218 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 171.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -143.31 143.55 31.74 Favored 'General case' 0 N--CA 1.422 -1.83 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.3 t -88.87 99.94 12.79 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 174.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.6 m -54.14 118.77 4.32 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.991 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.0 m -124.5 82.22 2.02 Favored 'General case' 0 N--CA 1.424 -1.747 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.5 p -115.55 -20.42 5.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.497 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt 61.33 70.68 0.59 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.379 -177.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -149.01 145.61 27.38 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 106.166 -1.791 . . . . 0.0 106.166 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 18.1 m120 . . . . . 0 C--N 1.3 -1.574 0 CA-C-O 119.349 -0.358 . . . . 0.0 111.163 -175.875 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.57 0 N-CA-C 112.218 -0.353 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m -73.19 152.77 40.96 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.01 -51.82 62.75 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 123.452 0.701 . . . . 0.0 112.838 -176.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -65.15 -40.18 94.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.952 0.882 . . . . 0.0 110.028 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.8 -52.16 64.25 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 113.622 -1.626 . . . . 0.0 110.638 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.604 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 11.9 pt-20 -67.32 -39.4 85.85 Favored 'General case' 0 C--O 1.207 -1.182 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.508 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.85 -39.61 94.91 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 122.181 0.192 . . . . 0.0 111.207 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.94 -45.01 94.49 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.611 0.72 . . . . 0.0 109.347 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.78 90.93 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.731 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 78.7 mt -61.8 -43.53 98.67 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 123.235 0.614 . . . . 0.0 111.646 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -58.91 -43.47 91.08 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-O 121.108 0.48 . . . . 0.0 110.419 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -64.55 -41.51 96.28 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.724 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.52 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 59.0 tt0 -64.85 -46.85 80.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.901 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.87 -38.75 70.54 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.464 0.706 . . . . 0.0 110.01 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.04 -33.4 75.95 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.083 0.468 . . . . 0.0 110.833 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.29 -40.82 35.76 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.353 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 34.1 mt-10 -63.63 -39.82 95.33 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 121.506 0.669 . . . . 0.0 110.361 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.23 -35.08 66.94 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.764 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 58.67 77.54 0.29 Allowed 'General case' 0 C--O 1.247 0.967 0 O-C-N 124.277 0.986 . . . . 0.0 108.694 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.745 ' HB1' ' HB2' ' A' ' 26' ' ' ASP . . . -53.36 114.83 1.63 Allowed 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 113.956 -1.474 . . . . 0.0 111.568 -176.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -92.98 149.96 20.87 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 114.673 -1.149 . . . . 0.0 109.693 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -72.87 79.32 1.15 Allowed 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 123.051 1.405 . . . . 0.0 111.001 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.07 46.49 0.02 OUTLIER Glycine 0 N--CA 1.43 -1.745 0 N-CA-C 106.671 -2.571 . . . . 0.0 106.671 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -149.41 138.38 12.46 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.27 -32.6 88.54 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 122.851 2.368 . . . . 0.0 112.625 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.05 -15.69 81.41 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.397 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.745 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . 13.3 t70 -104.09 -63.71 1.17 Allowed 'General case' 0 CA--C 1.493 -1.245 0 O-C-N 122.837 -0.213 . . . . 0.0 111.156 178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.08 85.73 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -171.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.46 -45.71 61.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.361 0.6 . . . . 0.0 110.483 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -69.87 -36.46 75.51 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.102 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -65.07 -39.53 93.39 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.305 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.653 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 36.8 tt0 -57.7 -54.73 43.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 123.533 0.521 . . . . 0.0 110.106 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.07 84.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.562 -177.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -73.05 -32.69 65.22 Favored 'General case' 0 C--O 1.248 0.99 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.39 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -74.33 -30.67 62.13 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.933 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.653 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 77.8 mtp180 -62.94 -36.88 84.89 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 176.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -62.41 -48.75 78.32 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.392 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.19 -53.55 8.1 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.105 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.78 -46.37 85.54 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -172.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 56.0 ttp -66.96 -33.24 75.16 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.162 0.506 . . . . 0.0 110.943 -176.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -74.02 -46.21 44.89 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.738 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.34 -47.87 53.82 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.537 -0.756 . . . . 0.0 113.001 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.459 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 49.1 m -59.62 -26.55 65.57 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -172.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.524 HG13 HD12 ' A' ' 44' ' ' LEU . 18.5 pt -71.35 -38.1 67.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 C-N-CA 118.758 -1.177 . . . . 0.0 111.252 177.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.524 HD12 HG13 ' A' ' 43' ' ' ILE . 5.7 mp -79.64 -31.08 41.52 Favored 'General case' 0 C--O 1.206 -1.204 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.885 176.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 42' ' ' SER . . . -70.48 -22.54 62.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -84.88 -34.02 22.69 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.328 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.59 HG11 HD12 ' A' ' 74' ' ' LEU . 15.6 t -79.67 -41.23 21.84 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.519 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -101.65 120.32 40.14 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 120.725 0.298 . . . . 0.0 110.411 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.48 161.4 17.31 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 172.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -49.9 -32.64 15.07 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 123.929 0.892 . . . . 0.0 111.746 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.9 p -65.05 -47.29 77.9 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.102 0.477 . . . . 0.0 110.081 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.5 -35.52 75.61 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.043 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -62.23 -43.91 97.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.846 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.32 -40.18 81.75 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.11 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.528 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 6.4 tpt180 -64.38 -37.53 87.83 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.7 tp -58.25 -41.06 83.37 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 123.837 0.855 . . . . 0.0 110.063 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.457 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 24.8 t -66.37 -28.68 68.83 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.57 -46.96 80.49 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.79 -39.1 93.43 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.658 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -64.7 -22.91 67.09 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 122.959 0.504 . . . . 0.0 112.265 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 57' ' ' SER . 95.1 mt -91.83 -15.79 27.7 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 120.817 0.342 . . . . 0.0 110.654 -178.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 p -108.61 -47.38 7.43 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -141.1 85.62 12.01 Favored Pre-proline 0 C--O 1.245 0.831 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.92 -17.1 58.47 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.858 2.372 . . . . 0.0 113.397 -174.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -71.2 -38.4 72.08 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -74.62 -29.84 61.44 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 6.1 m -64.28 -44.85 90.39 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 174.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -63.21 -39.57 95.0 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.088 -177.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.56 -47.79 80.09 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.799 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -69.03 -36.26 72.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.673 0 C-N-CA 119.466 -0.893 . . . . 0.0 111.078 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.463 ' O ' HG13 ' A' ' 75' ' ' ILE . 40.0 mt-10 -54.25 -51.1 65.59 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 176.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 23.6 t-20 -56.78 -46.6 81.42 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.027 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -62.31 -48.87 77.97 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.399 -178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.59 HD12 HG11 ' A' ' 47' ' ' VAL . 2.8 mm? -63.39 -37.28 86.67 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 71' ' ' GLU . 78.7 mt -59.1 -44.68 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 CA-C-O 120.86 0.362 . . . . 0.0 110.165 177.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 12.2 mm100 -68.48 -43.68 76.42 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.465 0.65 . . . . 0.0 109.6 178.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.3 tpt -58.42 -46.13 87.07 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 125.495 1.518 . . . . 0.0 110.477 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.58 88.05 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.121 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 79' ' ' ARG . 45.3 ttm180 -67.51 -38.35 84.18 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.314 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.421 ' HB3' ' HE3' ' A' ' 110' ' ' LYS . 24.8 m-85 -75.34 -15.44 60.48 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.618 -177.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.27 59.71 1.72 Allowed Glycine 0 N--CA 1.436 -1.338 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.124 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.452 ' CD ' ' HG2' ' A' ' 110' ' ' LYS . 14.8 mm100 -111.24 21.18 16.59 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.531 0.681 . . . . 0.0 110.861 178.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.76 96.88 7.08 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.704 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 m -75.1 -57.09 4.11 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 170.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -169.98 -168.58 0.77 Allowed 'General case' 0 N--CA 1.427 -1.579 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -73.24 121.76 20.87 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 123.645 0.59 . . . . 0.0 110.146 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.426 ' CG1' ' HA3' ' A' ' 91' ' ' GLY . 50.4 t -84.28 137.52 20.74 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.963 0 C-N-CA 124.239 1.016 . . . . 0.0 108.461 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.0 m -87.48 -170.58 3.09 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.135 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.604 ' O ' HG12 ' A' ' 93' ' ' ILE . 38.0 mt-10 -56.99 -48.07 79.3 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 123.346 0.658 . . . . 0.0 111.269 -175.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -57.39 -41.18 79.76 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 123.313 0.645 . . . . 0.0 112.287 -175.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.426 ' HA3' ' CG1' ' A' ' 87' ' ' VAL . . . -63.94 -38.41 96.03 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.215 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.3 tp -68.17 -35.68 78.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.604 HG12 ' O ' ' A' ' 89' ' ' GLU . 23.5 mm -62.58 -41.58 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.88 -36.38 84.16 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.602 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 77.7 mt -68.74 -36.14 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 45.0 tp -62.15 -38.76 90.25 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.772 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -58.66 -47.86 83.02 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.696 ' HB3' ' O ' ' A' ' 103' ' ' THR . 93.7 mttt -53.28 -52.07 60.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.987 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.1 m -74.44 -22.19 17.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.255 -175.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.6 m -74.46 -31.51 62.26 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 121.326 0.584 . . . . 0.0 109.862 172.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -73.68 -65.71 0.79 Allowed 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -150.06 -72.16 0.18 Allowed 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.696 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 92.3 m -177.05 -61.9 0.01 OUTLIER 'General case' 0 C--O 1.203 -1.35 0 N-CA-C 102.709 -3.071 . . . . 0.0 102.709 177.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 158.05 153.33 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 127.62 2.368 . . . . 0.0 106.292 171.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -107.29 93.35 4.5 Favored 'General case' 0 C--N 1.28 -2.43 0 N-CA-C 104.52 -2.4 . . . . 0.0 104.52 169.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.1 m -53.92 99.69 0.03 OUTLIER 'General case' 0 N--CA 1.428 -1.548 0 O-C-N 124.359 1.037 . . . . 0.0 111.925 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.7 m -130.62 96.13 4.03 Favored 'General case' 0 N--CA 1.415 -2.205 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.4 m 61.31 70.02 0.63 Allowed 'General case' 0 CA--C 1.558 1.256 0 O-C-N 124.169 0.918 . . . . 0.0 110.196 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.1 t -126.4 -41.86 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.351 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.452 ' HG2' ' CD ' ' A' ' 82' ' ' GLN . 10.1 tmtt? -94.54 97.8 10.39 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 -176.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -93.11 -24.41 18.28 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.257 -174.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 44.3 t30 . . . . . 0 C--N 1.321 -0.659 0 O-C-N 123.868 0.73 . . . . 0.0 110.614 -179.041 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.001 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 13.8 m -70.89 168.44 16.87 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 123.359 0.664 . . . . 0.0 110.471 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.2 -35.84 72.22 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 123.284 0.633 . . . . 0.0 111.58 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -70.81 -44.09 67.28 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.117 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -57.19 -42.54 81.39 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.659 0.784 . . . . 0.0 111.246 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 1' ' ' SER . 9.9 mm-40 -70.02 -49.98 45.95 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.122 0.487 . . . . 0.0 110.437 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.8 -43.88 94.23 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.555 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -65.7 -39.97 91.79 Favored 'General case' 0 C--O 1.183 -2.447 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.821 -177.616 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.27 96.02 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 120.984 0.421 . . . . 0.0 111.25 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.29 -53.21 31.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.418 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 40.8 ttt180 -58.07 -48.89 78.75 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 123.568 0.747 . . . . 0.0 111.158 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' GLU . 65.6 ttt180 -56.78 -47.58 79.84 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 125.3 1.44 . . . . 0.0 110.889 -178.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 32.9 tt0 -64.8 -39.34 93.43 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.256 178.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -69.56 -32.75 71.72 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.791 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 10' ' ' ARG . 80.3 mt -67.83 -32.45 73.0 Favored 'General case' 0 N--CA 1.425 -1.684 0 C-N-CA 123.163 0.585 . . . . 0.0 110.839 175.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.2 94.54 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.125 0.488 . . . . 0.0 110.152 175.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 17.7 mt-10 -71.27 -33.68 70.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 122.053 0.93 . . . . 0.0 109.737 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.25 -20.72 61.49 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.507 -1.224 . . . . 0.0 107.703 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 70.79 29.12 3.23 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 125.254 1.422 . . . . 0.0 109.8 -178.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.57 157.24 16.62 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.09 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -77.67 150.4 34.55 Favored 'General case' 0 N--CA 1.427 -1.579 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 87.17 -1.55 0.57 Allowed 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 126.395 1.878 . . . . 0.0 110.434 -172.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -110.04 43.85 1.63 Allowed Glycine 0 N--CA 1.427 -1.945 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.225 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.25 148.73 71.49 Favored Pre-proline 0 C--N 1.307 -1.259 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -91.54 19.58 1.03 Allowed 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 121.943 1.762 . . . . 0.0 112.118 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.29 -75.35 0.15 Allowed Glycine 0 C--N 1.349 1.277 0 C-N-CA 124.539 1.066 . . . . 0.0 115.57 -173.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -51.0 -52.93 37.87 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -176.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.05 81.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.972 -176.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.75 -51.52 12.49 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.855 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -63.05 -31.68 72.88 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -174.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -71.0 -41.01 71.5 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.939 -0.305 . . . . 0.0 110.934 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 40.6 tt0 -69.03 -46.99 66.54 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 176.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -56.32 -44.71 80.23 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.535 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -63.1 -37.88 88.97 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 122.776 0.43 . . . . 0.0 110.734 178.751 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -69.12 -35.94 76.97 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.929 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 81.9 mtp180 -70.41 -28.93 65.46 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.734 177.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 48.9 mm-40 -68.34 -42.14 79.73 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.934 175.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.52 73.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.646 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -79.56 -51.12 9.7 Favored 'General case' 0 N--CA 1.432 -1.326 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.966 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -85.38 -47.02 10.4 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -174.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -71.17 -26.89 63.17 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 -171.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -57.54 -31.2 65.85 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.537 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.1 m -60.32 -37.83 81.82 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.91 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.494 ' O ' HG23 ' A' ' 47' ' ' VAL . 20.3 pt -76.78 -38.75 30.21 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 C-N-CA 118.942 -1.103 . . . . 0.0 109.681 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.5 -33.81 74.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.726 -176.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.02 77.21 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.061 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -98.21 -19.74 17.68 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 43' ' ' ILE . 83.5 t -72.32 -41.75 65.58 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.958 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.576 HD12 HH11 ' A' ' 53' ' ' ARG . 87.8 mt -87.57 134.8 33.57 Favored 'General case' 0 N--CA 1.407 -2.591 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.72 147.01 50.95 Favored 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 172.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -47.93 -37.85 15.29 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.532 0.733 . . . . 0.0 112.486 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -65.55 -39.86 92.21 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 121.345 0.593 . . . . 0.0 109.794 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.39 -35.77 60.99 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.422 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.576 HH11 HD12 ' A' ' 48' ' ' LEU . 19.8 tpt180 -66.64 -40.7 88.82 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.81 -41.78 96.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.138 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -61.47 -39.38 90.7 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.534 0.734 . . . . 0.0 110.44 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.7 tp -73.0 -29.57 63.13 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.046 0.45 . . . . 0.0 111.261 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.0 m -67.49 -37.6 83.09 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 122.125 0.964 . . . . 0.0 109.244 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -65.45 -37.81 87.99 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.121 -1.4 . . . . 0.0 108.899 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -40.39 87.32 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.39 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.77 -28.47 70.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.12 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.67 -42.18 82.54 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.922 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.54 -48.78 17.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.453 ' HE2' ' HG3' ' A' ' 66' ' ' LYS . 22.2 pttm -159.43 104.8 1.5 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 121.291 0.567 . . . . 0.0 112.506 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -71.05 -9.32 25.39 Favored 'Trans proline' 0 C--O 1.241 0.631 0 C-N-CA 123.668 2.912 . . . . 0.0 114.76 -174.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.61 -32.38 62.31 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 119.152 -1.019 . . . . 0.0 110.554 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.453 ' HG3' ' HE2' ' A' ' 63' ' ' LYS . 25.8 mmmt -78.84 -29.89 44.9 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.3 m -60.95 -51.33 69.74 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.153 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -63.99 -30.53 71.6 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.823 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.89 -51.41 62.13 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 123.635 0.585 . . . . 0.0 110.405 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.3 m -69.66 -37.52 74.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.63 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.509 ' O ' HG13 ' A' ' 75' ' ' ILE . 42.0 mt-10 -60.77 -41.83 96.29 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.008 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -66.02 -36.34 83.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.671 0.748 . . . . 0.0 109.185 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -67.2 -44.21 80.14 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.617 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.75 -37.9 80.26 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 71' ' ' GLU . 63.5 mt -54.91 -44.67 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' A' ' 79' ' ' ARG . 64.4 mt-30 -75.64 -45.65 36.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.179 -177.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.487 ' HG2' ' HB2' ' A' ' 82' ' ' GLN . 34.8 ttp -64.93 -40.73 95.48 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.376 -174.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.0 -36.02 82.16 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.127 0.489 . . . . 0.0 110.114 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 76' ' ' GLN . 73.1 ttt180 -58.89 -35.82 73.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.659 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -89.48 13.75 13.07 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.24 26.1 58.19 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.285 -0.959 . . . . 0.0 113.652 174.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.487 ' HB2' ' HG2' ' A' ' 77' ' ' MET . 16.1 mm100 -87.88 6.81 33.72 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.751 0.786 . . . . 0.0 109.77 176.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 85' ' ' GLU . 65.3 tp -110.59 91.18 3.55 Favored 'General case' 0 N--CA 1.418 -2.044 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.617 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.6 m -95.42 -24.69 16.57 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.405 ' O ' HD12 ' A' ' 83' ' ' LEU . 6.5 tp10 -159.92 161.64 34.32 Favored 'General case' 0 N--CA 1.427 -1.596 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -52.82 128.0 25.29 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 124.459 1.099 . . . . 0.0 111.223 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.42 116.2 5.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.8 m -78.32 176.67 9.1 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.146 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -51.32 -48.38 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 123.732 0.813 . . . . 0.0 111.486 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -62.97 -28.16 69.9 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.498 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -75.97 -40.14 31.13 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.4 tp -66.71 -47.28 72.86 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.426 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 88.5 mt -61.08 -30.9 48.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.752 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.18 -48.16 81.28 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.367 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 77.4 mt -69.45 -42.63 81.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.381 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.1 tp -54.28 -46.4 72.69 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.651 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 10.1 mtmp? -60.24 -45.6 92.7 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . 0.314 0.0 OUTLIER -71.73 -29.48 64.58 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -179.306 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' A' ' 105' ' ' LYS . 22.6 m -82.75 -18.76 10.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.003 175.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.434 ' HA ' ' HE2' ' A' ' 66' ' ' LYS . 22.9 t -64.48 -48.93 73.37 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.5 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -82.45 -76.51 0.26 Allowed 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.758 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -168.58 113.85 0.62 Allowed 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.407 0.623 . . . . 0.0 112.594 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.4 m -163.96 -66.01 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 171.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.51 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 5.8 mm-40 -136.58 51.14 2.01 Favored 'General case' 0 C--O 1.21 -1.017 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 62.7 pttt -51.49 -28.62 13.88 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -170.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.0 t -155.4 24.51 0.41 Allowed 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.0 m 67.66 101.22 0.05 Allowed 'General case' 0 C--N 1.36 1.037 0 CA-C-N 113.378 -1.737 . . . . 0.0 107.481 -167.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.5 p -66.73 165.98 13.95 Favored 'General case' 0 C--O 1.255 1.343 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -170.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . 0.323 33.0 m 48.96 63.52 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.598 0 C-N-CA 125.842 1.657 . . . . 0.0 112.244 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.6 121.93 5.68 Favored 'General case' 0 N--CA 1.417 -2.114 0 CA-C-N 113.283 -1.781 . . . . 0.0 106.504 -176.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -114.58 120.92 41.83 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.927 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 C--N 1.305 -1.357 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 178.074 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.211 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.9 m -79.86 104.37 10.39 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 176.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.05 -40.05 63.7 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.496 0.718 . . . . 0.0 112.391 -174.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -62.56 -44.42 96.39 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.987 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -72.43 -37.06 68.69 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.598 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.12 -37.19 84.18 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.887 0.375 . . . . 0.0 110.973 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.58 -49.5 74.99 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.704 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 20.3 mm-40 -59.3 -52.99 63.28 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.095 176.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.61 -48.49 66.28 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.683 0.793 . . . . 0.0 112.149 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.26 -43.9 92.44 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.098 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.2 mtp85 -73.34 -42.79 61.86 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.159 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 99.2 mtt180 -61.55 -38.23 86.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.884 0.374 . . . . 0.0 110.567 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.527 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 54.7 tt0 -58.95 -53.07 62.5 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.49 176.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 96.9 mtt180 -62.14 -39.48 92.72 Favored 'General case' 0 C--O 1.201 -1.48 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.705 -177.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.09 -34.92 75.7 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.236 0.541 . . . . 0.0 111.512 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.04 -31.98 64.78 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.223 0.535 . . . . 0.0 110.597 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 18.5 mm-40 -82.24 -36.15 27.45 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.44 0.638 . . . . 0.0 111.493 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.47 HD13 ' HA3' ' A' ' 22' ' ' GLY . 4.7 tt -66.97 -34.41 77.7 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 124.451 1.101 . . . . 0.0 111.296 -174.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 75.75 -60.15 0.5 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.609 1.164 . . . . 0.0 111.83 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.83 114.91 5.42 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.813 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -83.49 72.2 10.28 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 122.1 0.952 . . . . 0.0 111.379 -174.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -168.62 23.24 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 176.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.47 ' HA3' HD13 ' A' ' 17' ' ' LEU . . . -77.91 -3.2 83.97 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 114.043 -1.435 . . . . 0.0 114.657 -172.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -78.59 118.79 74.43 Favored Pre-proline 0 C--N 1.311 -1.088 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -106.08 23.76 0.09 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 122.768 2.312 . . . . 0.0 111.571 176.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.85 -42.27 99.51 Favored Glycine 0 CA--C 1.506 -0.5 0 N-CA-C 114.161 0.424 . . . . 0.0 114.161 -172.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.37 -40.89 34.92 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.12 0.486 . . . . 0.0 110.483 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.486 ' O ' ' HG2' ' A' ' 31' ' ' GLU . . . -59.25 -51.48 69.79 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.72 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.82 81.61 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.995 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -67.02 -45.0 78.84 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -67.89 -42.88 80.5 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 123.479 0.487 . . . . 0.0 110.318 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 7.9 mm-40 -62.54 -47.46 83.77 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.318 0.386 . . . . 0.0 110.824 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -62.19 -45.68 92.28 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.618 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -67.54 -35.57 79.33 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 120.726 0.298 . . . . 0.0 111.609 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -67.5 -38.7 84.7 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -65.12 -36.37 84.06 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.517 0.727 . . . . 0.0 109.998 178.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 18.2 mm-40 -58.42 -54.29 48.73 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.529 0.68 . . . . 0.0 109.934 175.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.63 96.92 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -54.35 -49.74 69.07 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -59.66 -50.06 75.32 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 123.504 0.502 . . . . 0.0 110.577 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.468 ' NH1' ' HB3' ' A' ' 36' ' ' GLU . 54.7 mtt180 -70.91 -41.81 70.75 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.498 -175.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -67.13 -46.65 73.47 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.107 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -63.34 -35.26 79.8 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 111.428 0.159 . . . . 0.0 111.428 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 47' ' ' VAL . 29.7 pt -75.84 -49.38 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.995 0 C-N-CA 118.812 -1.155 . . . . 0.0 111.102 176.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.93 -37.51 79.7 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.97 -19.51 60.07 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -97.39 -26.07 15.0 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.118 0.485 . . . . 0.0 111.289 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 78' ' ' ALA . 73.8 t -79.31 -44.94 24.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.972 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -91.04 124.38 35.23 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.24 152.89 42.57 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -48.28 -36.63 14.46 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 123.903 0.752 . . . . 0.0 110.878 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.7 p -63.44 -48.26 78.48 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-O 120.815 0.34 . . . . 0.0 110.821 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.56 -36.38 68.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.513 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -62.2 -46.85 87.08 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.39 85.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.904 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 7.6 tpt180 -59.51 -47.08 86.92 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.4 tp -68.96 -28.4 66.59 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.401 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 56.2 m -64.0 -42.92 97.01 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.057 0.456 . . . . 0.0 110.626 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -72.15 -39.02 69.06 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -56.8 -39.62 74.45 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.434 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.429 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -60.42 -22.34 63.28 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.915 0.886 . . . . 0.0 112.367 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.5 mt -94.99 -44.03 7.88 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.653 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.5 m -74.04 -42.66 52.36 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -143.99 82.53 10.93 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-O 121.415 0.626 . . . . 0.0 111.733 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -64.22 -20.14 66.65 Favored 'Trans proline' 0 C--O 1.241 0.661 0 C-N-CA 123.806 3.004 . . . . 0.0 113.737 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 1.4 tm-20 -69.34 -39.91 77.86 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -175.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -78.95 -29.98 44.32 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.001 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.429 HG21 ' HB2' ' A' ' 60' ' ' ALA . 2.2 m -60.83 -46.83 89.03 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.235 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 65.2 pttt -59.56 -37.66 79.04 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.528 -177.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.18 -49.2 52.8 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.373 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -65.77 -41.63 90.67 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 C-N-CA 120.341 -0.543 . . . . 0.0 112.435 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.45 -39.03 92.05 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.739 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 21.2 t-20 -62.22 -42.64 99.49 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 176.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -60.86 -48.06 83.51 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.652 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.9 -37.22 86.08 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.535 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.2 mt -58.95 -47.3 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.515 ' O ' ' HB3' ' A' ' 79' ' ' ARG . 16.9 mm-40 -62.8 -45.68 91.52 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.994 0.425 . . . . 0.0 111.114 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.551 ' SD ' ' HB2' ' A' ' 82' ' ' GLN . 17.4 tmm? -66.48 -38.59 87.64 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.317 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -67.25 -38.16 84.7 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.096 0.474 . . . . 0.0 110.336 176.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.515 ' HB3' ' O ' ' A' ' 76' ' ' GLN . 75.4 ttt180 -57.21 -43.16 82.53 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 124.815 1.246 . . . . 0.0 110.526 177.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -80.94 -21.53 40.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.512 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.98 50.44 5.53 Favored Glycine 0 N--CA 1.436 -1.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.961 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.551 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 12.5 mm100 -96.43 18.39 14.06 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.393 0.616 . . . . 0.0 109.473 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.42 HD11 HG13 ' A' ' 47' ' ' VAL . 4.4 mm? -73.75 121.51 20.93 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 115.181 -0.918 . . . . 0.0 113.296 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.8 m -106.26 -56.91 2.12 Favored 'General case' 0 N--CA 1.415 -2.18 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 170.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -136.07 -179.57 5.75 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 123.772 0.829 . . . . 0.0 109.292 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -73.08 139.96 46.86 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.89 125.94 36.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -87.2 178.69 6.81 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.594 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.673 ' O ' HG12 ' A' ' 93' ' ' ILE . 41.1 mt-10 -63.27 -49.45 74.02 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -176.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.78 -36.86 80.06 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.654 0.596 . . . . 0.0 110.66 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.44 -39.11 91.41 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.1 tp -67.48 -37.19 82.49 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.673 HG12 ' O ' ' A' ' 89' ' ' GLU . 28.0 mm -59.73 -42.09 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -62.33 -35.62 79.65 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.397 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 73.2 mt -72.64 -39.65 61.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 37.4 tp -59.25 -42.68 91.68 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.141 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.79 -38.32 90.21 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.322 0.582 . . . . 0.0 110.624 177.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -69.22 -38.15 78.41 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.817 -175.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.3 m -79.62 -14.04 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.387 0.613 . . . . 0.0 110.332 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.0 m -78.16 -18.21 55.85 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 121.713 0.768 . . . . 0.0 109.224 174.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -89.35 -64.54 1.13 Allowed 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 172.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -146.61 -85.93 0.11 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.315 0.578 . . . . 0.0 111.01 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 74.9 m -152.91 -66.29 0.16 Allowed 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -152.73 170.35 20.49 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.127 -1.805 . . . . 0.0 106.127 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 48.92 49.24 19.57 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.857 1.348 . . . . 0.0 111.262 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 p -73.49 16.21 0.21 Allowed 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 114.509 1.299 . . . . 0.0 114.509 -173.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.5 m -101.31 37.1 1.84 Allowed 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 m -45.43 129.46 8.41 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 128.349 2.66 . . . . 0.0 113.114 -177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.6 m -92.41 108.47 20.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 CA-C-O 121.895 0.855 . . . . 0.0 111.716 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -140.13 106.42 5.27 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.707 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -170.18 152.22 4.14 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.319 -0.72 0 O-C-N 124.331 1.019 . . . . 0.0 112.195 -179.321 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.52 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.7 m -89.33 128.32 35.88 Favored 'General case' 0 N--CA 1.419 -1.999 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.28 -39.77 73.2 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.216 0.606 . . . . 0.0 112.241 -174.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.64 -46.68 89.39 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.283 0.563 . . . . 0.0 110.973 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -67.05 -49.38 65.35 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.25 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -58.11 -35.86 72.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.5 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.8 -46.26 79.3 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 41.9 tt0 -71.26 -35.27 71.33 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.285 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.86 92.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.92 0.391 . . . . 0.0 110.087 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.01 -46.4 89.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.454 -0.794 . . . . 0.0 108.874 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -60.71 -44.27 96.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.953 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 86.2 mtt180 -60.8 -42.11 96.95 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.411 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.589 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 36.4 tt0 -63.77 -50.22 69.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.65 0.594 . . . . 0.0 110.12 177.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HD3' ' OE1' ' A' ' 16' ' ' GLU . 30.9 mmt180 -57.97 -40.85 81.66 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.688 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -63.76 -43.84 95.24 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.78 -41.43 92.03 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.833 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 39.3 mt-10 -62.31 -43.02 99.79 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 121.407 0.623 . . . . 0.0 110.619 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.27 -35.92 74.58 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.438 -1.255 . . . . 0.0 109.601 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -97.53 7.69 46.01 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.795 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 64.21 173.64 0.18 Allowed 'General case' 0 C--O 1.243 0.714 0 C-N-CA 124.854 1.262 . . . . 0.0 113.359 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -122.49 174.03 7.3 Favored 'General case' 0 N--CA 1.423 -1.79 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -133.5 76.17 1.65 Allowed 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.73 21.1 3.8 Favored Glycine 0 C--N 1.294 -1.785 0 N-CA-C 108.768 -1.733 . . . . 0.0 108.768 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -93.72 166.19 16.41 Favored Pre-proline 0 C--N 1.297 -1.689 0 CA-C-N 113.604 -1.298 . . . . 0.0 109.383 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -88.53 38.54 0.46 Allowed 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.255 2.636 . . . . 0.0 112.08 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.07 178.21 17.29 Favored Glycine 0 C--O 1.244 0.755 0 CA-C-N 116.28 -0.418 . . . . 0.0 113.753 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -51.99 -46.52 64.91 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.447 1.099 . . . . 0.0 113.318 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 31' ' ' GLU . . . -64.56 -36.78 85.34 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.335 -178.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.57 -34.81 79.12 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.327 0.584 . . . . 0.0 110.647 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -72.82 -47.44 46.37 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.062 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -62.73 -42.99 99.93 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.411 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 26.5 mm-40 -63.95 -38.81 92.46 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.346 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -61.44 -43.1 99.47 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.01 0.433 . . . . 0.0 110.553 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -64.43 -40.68 96.22 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.008 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.465 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 76.8 t60 -64.29 -40.52 96.11 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.327 -0.852 . . . . 0.0 109.678 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 84.9 mtp180 -67.9 -29.58 68.71 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.0 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 39.5 mt-10 -63.06 -41.23 99.42 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.28 0.562 . . . . 0.0 110.044 177.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.49 -45.4 65.74 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.145 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 34' ' ' HIS . 50.4 mt-10 -57.26 -37.21 72.0 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.455 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 28.1 ttt -49.6 -51.03 40.17 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.666 0.604 . . . . 0.0 110.99 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -76.88 -51.46 11.22 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.396 0.617 . . . . 0.0 111.595 174.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -60.45 -39.78 88.78 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -169.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.521 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 52.0 p -58.29 -51.6 69.1 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 112.829 0.678 . . . . 0.0 112.829 -173.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 47' ' ' VAL . 14.9 pt -63.84 -37.76 80.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-O 120.787 0.327 . . . . 0.0 111.305 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.89 -53.74 29.13 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.011 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.33 -18.62 63.83 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -177.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 42' ' ' SER . 16.0 mm-40 -83.46 -38.86 21.3 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.623 176.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 43' ' ' ILE . 32.6 m -84.29 -37.06 12.51 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.113 0 C-N-CA 120.104 -0.639 . . . . 0.0 111.565 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.1 mt -78.17 129.78 35.55 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -67.07 156.74 35.33 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 174.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -48.89 -37.86 20.91 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 123.835 0.854 . . . . 0.0 111.368 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.8 m -74.4 -33.86 63.13 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.008 0.433 . . . . 0.0 110.212 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.97 -37.91 64.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.903 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -65.28 -41.73 93.86 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.73 91.83 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.592 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -58.14 -39.34 78.53 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.085 0.554 . . . . 0.0 110.272 176.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 67' ' ' THR . 27.3 tp -71.84 -37.73 70.25 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.203 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.6 t -66.15 -26.59 67.5 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-O 121.978 0.894 . . . . 0.0 108.875 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.545 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 2.8 t-20 -69.14 -52.22 30.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.297 174.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.408 ' HA ' HG22 ' A' ' 62' ' ' VAL . 4.6 mm? -60.16 -31.03 69.72 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.089 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.42 -26.46 67.87 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.498 0.719 . . . . 0.0 112.07 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.8 mt -90.17 -19.49 24.18 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.438 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 59' ' ' LEU . 30.1 m -97.1 -48.88 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.263 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.82 93.14 3.51 Favored Pre-proline 0 C--N 1.314 -0.959 0 CA-C-O 121.355 0.598 . . . . 0.0 110.597 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -67.19 -9.68 25.99 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.234 2.623 . . . . 0.0 113.566 -174.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -55.85 -51.2 68.36 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 176.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.512 ' HD3' HG23 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -67.88 -35.12 77.96 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 113.156 -1.838 . . . . 0.0 109.932 -175.23 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.473 ' HA ' HD11 ' A' ' 56' ' ' LEU . 9.6 m -62.3 -51.14 68.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 123.52 0.513 . . . . 0.0 110.161 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -62.27 -42.11 99.05 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.094 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.07 69.49 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.805 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.427 HG13 HG21 ' A' ' 99' ' ' VAL . 33.2 m -67.73 -39.52 82.22 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.686 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 75' ' ' ILE . 54.5 mt-10 -64.96 -42.45 94.6 Favored 'General case' 0 C--O 1.21 -1.025 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.44 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -64.36 -39.63 94.26 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -64.31 -50.89 66.06 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.737 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.65 -37.6 84.65 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 71' ' ' GLU . 58.8 mt -53.29 -50.37 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 121.208 0.528 . . . . 0.0 109.703 175.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.505 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 91.3 mt-30 -72.23 -45.09 61.7 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.682 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.58 ' HG3' ' OE1' ' A' ' 82' ' ' GLN . 25.8 ttt -59.12 -43.22 91.93 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 123.842 0.857 . . . . 0.0 111.367 -176.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.3 -34.61 63.56 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.683 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -73.13 -30.97 64.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 76' ' ' GLN . 17.3 m-85 -84.78 1.98 44.26 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.046 0.45 . . . . 0.0 110.038 177.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.13 35.91 60.59 Favored Glycine 0 N--CA 1.437 -1.258 0 CA-C-N 115.412 -0.813 . . . . 0.0 114.256 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.58 ' OE1' ' HG3' ' A' ' 77' ' ' MET . 91.3 mt-30 -86.11 4.37 38.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.316 0.558 . . . . 0.0 110.95 179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -125.06 133.85 52.75 Favored 'General case' 0 CA--C 1.494 -1.178 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.956 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -111.99 -19.18 12.44 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -137.49 -166.71 1.99 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.858 -177.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -77.44 152.19 34.38 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 122.141 0.972 . . . . 0.0 112.473 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -102.22 113.11 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.233 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.3 m -77.66 172.06 13.98 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.436 ' O ' HG13 ' A' ' 93' ' ' ILE . 50.8 mt-10 -53.32 -48.22 68.63 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 117.754 0.252 . . . . 0.0 111.233 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -58.09 -32.68 68.31 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.484 0.49 . . . . 0.0 111.709 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.25 -41.19 47.27 Favored Glycine 0 N--CA 1.438 -1.189 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.6 tp -71.55 -31.11 66.65 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 89' ' ' GLU . 89.8 mt -61.77 -32.06 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.241 0.543 . . . . 0.0 109.77 175.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.428 ' OE2' ' HD2' ' A' ' 97' ' ' LYS . 19.6 tp10 -69.0 -33.66 74.03 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.308 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.1 mm -74.72 -41.82 47.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.76 -44.35 96.85 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.284 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.428 ' HD2' ' OE2' ' A' ' 94' ' ' GLU . 17.0 ptpt -62.74 -34.11 76.52 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 63.1 mtpt -65.5 -52.17 54.7 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 123.536 0.522 . . . . 0.0 110.47 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.512 HG23 ' HD3' ' A' ' 66' ' ' LYS . 11.2 m -67.11 -18.22 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -176.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.5 m -72.07 -20.63 61.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.539 0.685 . . . . 0.0 110.133 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -105.22 -70.15 0.79 Allowed 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -179.71 131.28 0.1 Allowed 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 126.543 1.937 . . . . 0.0 106.177 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.459 HG21 HG12 ' A' ' 99' ' ' VAL . 6.5 t -103.75 75.88 1.34 Allowed 'General case' 0 C--N 1.288 -2.104 0 CA-C-O 121.496 0.665 . . . . 0.0 110.531 -175.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 66.01 26.95 10.79 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.943 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 105' ' ' LYS . 12.7 tmtt? -69.66 -29.52 67.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.508 -1.223 . . . . 0.0 109.196 -175.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.7 p -82.34 -21.11 36.13 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.66 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.7 m -95.8 83.03 3.64 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 121.769 0.795 . . . . 0.0 110.348 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.9 m -125.86 141.27 52.06 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.875 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.79 148.1 5.74 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.063 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -73.94 104.21 4.72 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 176.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -82.83 87.29 6.81 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 . . . . . 0 C--N 1.297 -1.687 0 CA-C-N 115.27 -0.877 . . . . 0.0 108.979 -177.402 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.591 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 24.8 t -88.94 148.35 23.85 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 170.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.35 -48.46 46.62 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -175.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.17 -28.83 57.48 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.967 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.0 -48.88 27.17 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 124.193 0.997 . . . . 0.0 110.723 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 1' ' ' SER . 12.0 pt-20 -68.94 -26.33 65.01 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.56 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.72 -38.29 89.89 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 173.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -70.23 -48.18 58.14 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.803 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.64 -39.75 71.29 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.762 0.664 . . . . 0.0 111.027 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 58.2 tp -61.91 -35.71 79.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 177.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -71.39 -30.59 66.29 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 11.4 mpt_? -67.32 -37.5 83.42 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 173.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.28 -46.22 84.6 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.466 ' HA ' ' OE1' ' A' ' 16' ' ' GLU . 5.3 mmp_? -57.01 -37.21 71.39 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 3.4 tm? -63.68 -35.79 81.72 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.93 0.892 . . . . 0.0 110.617 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 -31.24 71.94 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 120.928 0.394 . . . . 0.0 110.725 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.466 ' OE1' ' HA ' ' A' ' 13' ' ' ARG . 33.3 mt-10 -77.46 -37.95 50.39 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.01 0.91 . . . . 0.0 108.714 178.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.0 tp -63.43 -46.86 84.39 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.607 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -88.84 64.49 7.26 Favored 'General case' 0 N--CA 1.426 -1.647 0 CA-C-O 121.879 0.847 . . . . 0.0 109.819 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.8 34.13 5.28 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 113.646 -1.615 . . . . 0.0 108.412 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -60.96 147.06 44.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.661 -177.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -81.96 -19.31 40.88 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.13 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.82 15.31 61.96 Favored Glycine 0 C--N 1.312 -0.771 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.744 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -145.61 130.9 9.22 Favored Pre-proline 0 C--N 1.311 -1.089 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.03 -23.64 73.84 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.777 2.318 . . . . 0.0 113.475 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 131.33 156.61 8.53 Favored Glycine 0 N--CA 1.419 -2.479 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.02 -42.48 97.11 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 116.891 0.345 . . . . 0.0 111.593 -177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.98 -46.38 71.51 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.237 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.7 -41.86 87.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.701 -1.136 . . . . 0.0 112.134 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -54.65 -47.61 73.34 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.394 0.434 . . . . 0.0 111.623 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -61.69 -47.52 84.93 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.751 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -71.9 -38.4 69.96 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.21 -175.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.03 87.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.08 0.467 . . . . 0.0 109.92 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -65.49 -42.1 92.55 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.441 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -61.39 -33.23 73.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.163 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -67.18 -46.54 73.65 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.65 -42.83 84.26 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.674 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.05 -55.05 15.99 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.028 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -58.24 -39.76 79.97 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.1 mmt -59.68 -47.73 84.49 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.963 0.411 . . . . 0.0 111.298 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -74.73 -55.36 5.93 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.225 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -60.01 -27.85 67.23 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -171.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 p -69.19 -50.76 44.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.85 0.357 . . . . 0.0 111.673 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.435 HD11 HG12 ' A' ' 75' ' ' ILE . 25.8 pt -75.57 -36.94 35.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.716 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.37 -32.48 72.4 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.162 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.05 -33.43 75.51 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.388 0.613 . . . . 0.0 110.684 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -71.14 -43.71 67.02 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.824 -178.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.621 HG11 HD12 ' A' ' 74' ' ' LEU . 21.9 t -83.16 -44.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.623 -175.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.83 130.96 42.61 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-O 121.954 0.883 . . . . 0.0 112.978 -173.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.76 155.78 22.06 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.439 170.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -50.78 -39.99 54.05 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 124.259 1.024 . . . . 0.0 110.694 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -67.88 -38.36 82.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.176 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.05 -35.46 74.27 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.792 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -73.92 -28.64 61.63 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.333 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.91 77.83 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 173.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -63.29 -42.6 99.1 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.714 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 tp -55.58 -47.88 75.73 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.175 0.99 . . . . 0.0 110.654 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m -59.11 -43.7 91.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.994 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -58.83 -43.92 90.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.317 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.12 -34.76 78.3 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.405 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.44 -29.81 70.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.227 0.537 . . . . 0.0 111.348 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.5 mt -83.22 -23.27 32.87 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.675 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.1 m -103.4 -40.98 6.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -150.68 84.03 5.63 Favored Pre-proline 0 C--O 1.245 0.822 0 CA-C-O 121.518 0.675 . . . . 0.0 111.77 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -57.84 -22.87 55.99 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 123.997 3.132 . . . . 0.0 112.827 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.36 -45.64 84.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.4 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.415 ' HD2' ' HA ' ' A' ' 100' ' ' SER . 0.5 OUTLIER -78.52 -29.93 46.79 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.68 -178.345 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.1 m -62.49 -51.15 68.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -62.82 -33.02 74.35 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.894 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -69.87 -47.12 63.81 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.171 178.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.5 m -68.05 -38.93 80.63 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.825 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.957 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 75' ' ' ILE . 52.0 mt-10 -55.82 -51.06 68.79 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -56.04 -44.12 78.5 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 123.69 0.619 . . . . 0.0 110.308 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -65.34 -47.71 75.53 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.885 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.621 HD12 HG11 ' A' ' 47' ' ' VAL . 3.9 mm? -64.81 -37.43 87.59 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 71' ' ' GLU . 75.9 mt -54.93 -46.18 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -74.59 -37.96 62.76 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.574 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.07 -41.53 88.19 Favored 'General case' 0 C--O 1.249 1.068 0 C-N-CA 124.102 0.961 . . . . 0.0 109.488 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.03 75.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.344 176.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -66.65 -38.88 87.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.029 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -71.18 -33.26 69.82 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.47 39.41 8.33 Favored Glycine 0 CA--C 1.489 -1.562 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -93.72 10.72 31.77 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.294 -0.453 . . . . 0.0 111.878 -176.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.454 HD13 HG13 ' A' ' 47' ' ' VAL . 1.0 OUTLIER -117.36 156.78 27.28 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.113 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.2 m -100.75 -60.09 1.58 Allowed 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 172.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -145.46 -157.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.597 1.159 . . . . 0.0 108.883 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -58.27 126.13 26.23 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -176.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.76 138.84 20.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 175.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.2 m -85.04 -176.2 6.09 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.062 0.458 . . . . 0.0 111.956 -176.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -56.17 -42.99 77.95 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' A' ' 94' ' ' GLU . 90.0 mt-30 -56.76 -43.33 80.68 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 123.376 0.422 . . . . 0.0 112.009 -176.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.63 -40.37 98.54 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.18 -41.54 94.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.716 0.293 . . . . 0.0 110.229 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.8 mt -63.27 -31.09 51.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-O 121.15 0.5 . . . . 0.0 110.516 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 21.0 mm-40 -68.8 -45.73 70.5 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.3 mt -62.66 -37.14 78.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.321 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 48.5 tp -58.33 -37.86 75.98 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.444 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -63.39 -44.68 94.01 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -58.98 -51.36 70.41 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.066 -1.424 . . . . 0.0 110.212 -175.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.426 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 34.5 m -74.71 -20.02 16.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.415 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 73.1 m -68.72 -28.59 66.96 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 120.786 0.326 . . . . 0.0 111.473 176.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -103.29 -50.67 3.41 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.046 -0.661 . . . . 0.0 110.982 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -135.55 -94.84 0.26 Allowed 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -174.49 -47.29 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -156.03 179.94 8.74 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.7 mttp 61.96 11.94 4.54 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.5 m -76.85 109.92 11.04 Favored 'General case' 0 N--CA 1.429 -1.516 0 C-N-CA 123.087 0.555 . . . . 0.0 110.165 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.9 m -71.95 87.69 1.03 Allowed 'General case' 0 N--CA 1.435 -1.186 0 CA-C-O 122.511 1.148 . . . . 0.0 111.416 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 56.1 m -164.04 -33.18 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.432 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 25.0 t -98.61 150.29 4.99 Favored 'Isoleucine or valine' 0 C--O 1.251 1.151 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 168.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -85.37 85.58 7.43 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.547 0.689 . . . . 0.0 111.143 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.432 ' CE2' ' HB ' ' A' ' 109' ' ' VAL . 86.4 m-85 -81.75 116.95 21.68 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.854 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.293 -1.862 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.077 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.549 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.451 ' HB3' ' HB3' ' A' ' 4' ' ' GLU . 31.1 t -159.73 179.84 8.49 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -176.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.07 -62.34 1.43 Allowed 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 121.282 0.563 . . . . 0.0 110.047 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.28 -41.03 64.08 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.412 -174.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 1' ' ' SER . 32.0 tt0 -59.37 -45.86 90.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.753 0.658 . . . . 0.0 111.29 -177.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -64.49 -40.2 95.22 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 120.968 0.413 . . . . 0.0 110.086 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.7 tp -64.18 -45.42 88.45 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.962 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -75.27 -33.66 61.28 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.868 -179.342 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.56 91.18 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 174.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.57 -44.78 93.19 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.327 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.59 -44.66 89.95 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.157 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 65.8 mtt180 -57.3 -47.63 81.0 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.3 -42.36 93.14 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.975 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -64.54 -37.68 88.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.166 -0.334 . . . . 0.0 111.646 175.104 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.3 tp -70.49 -31.07 68.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.927 0.394 . . . . 0.0 109.974 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.97 -27.69 64.93 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.793 0.806 . . . . 0.0 110.114 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -82.65 -47.24 12.28 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.824 176.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -53.76 34.41 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.024 -175.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 61.72 23.22 13.59 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.434 1.094 . . . . 0.0 112.906 177.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.66 162.97 39.16 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-O 121.204 0.526 . . . . 0.0 110.092 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -134.4 70.38 1.45 Allowed 'General case' 0 C--N 1.295 -1.792 0 CA-C-O 122.035 0.921 . . . . 0.0 109.363 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -99.38 -2.67 35.65 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.277 -173.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.27 -39.29 92.07 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.73 119.21 76.08 Favored Pre-proline 0 C--N 1.313 -1.003 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.3 -56.19 0.48 Allowed 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 122.397 2.065 . . . . 0.0 112.367 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.08 -132.46 33.11 Favored Glycine 0 C--N 1.344 0.987 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -102.16 -10.47 19.6 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.85 68.25 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.382 -176.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.67 -54.79 40.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.838 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 pm0 -72.97 -25.75 61.12 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.525 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -65.4 -37.2 86.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.191 0.519 . . . . 0.0 109.704 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -73.22 -45.71 54.54 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.737 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.96 85.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.135 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -62.82 -41.43 99.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.449 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -63.48 -41.92 98.58 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.52 ' HA ' ' HG2' ' A' ' 38' ' ' GLU . 54.7 mtt180 -63.52 -30.46 71.57 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.128 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -66.87 -49.81 64.5 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.218 0.532 . . . . 0.0 109.775 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.04 -52.81 62.44 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.904 -1.043 . . . . 0.0 111.418 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.52 ' HG2' ' HA ' ' A' ' 35' ' ' ARG . 14.0 pt-20 -63.26 -43.46 97.93 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -176.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.55 -49.2 74.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.857 0.36 . . . . 0.0 110.116 -178.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -62.51 -49.63 74.58 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.199 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -61.6 -48.13 82.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.711 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.3 m -57.18 -48.3 79.08 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 123.371 0.419 . . . . 0.0 111.944 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 75' ' ' ILE . 28.4 pt -71.62 -46.73 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.164 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.873 -178.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.484 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 94.6 mt -67.5 -27.39 66.96 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -176.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.48 -31.42 32.93 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.99 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' A' ' 46' ' ' GLN . 8.4 mm-40 -87.87 -44.33 11.15 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.048 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.93 -45.08 77.91 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.524 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 85.2 mt -91.13 126.81 36.33 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.769 178.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.458 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 16.1 t70 -61.23 153.07 27.22 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 173.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 28.7 tt0 -54.94 -32.29 61.19 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 123.349 0.66 . . . . 0.0 111.675 -178.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 m -78.43 -27.2 46.48 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.34 -35.59 71.23 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.625 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -71.67 -26.9 62.71 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.81 176.482 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.91 75.16 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -62.7 -40.54 97.47 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.906 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.88 -43.13 94.91 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 123.783 0.833 . . . . 0.0 110.484 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m -63.24 -43.69 97.32 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.07 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -62.79 -37.44 86.69 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.031 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -33.74 76.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.66 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.32 -22.78 67.09 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.673 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.5 mp -79.6 -32.47 41.88 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.022 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -87.92 -58.41 3.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -146.5 100.78 4.06 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 117.87 0.305 . . . . 0.0 110.537 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 23.4 Cg_exo -64.4 -20.51 66.37 Favored 'Trans proline' 0 N--CA 1.48 0.729 0 C-N-CA 123.133 2.556 . . . . 0.0 112.507 -177.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.75 -45.13 95.24 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 121.727 0.775 . . . . 0.0 109.06 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.83 -29.77 61.16 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.546 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 64' ' ' PRO . 3.8 m -62.12 -51.62 67.15 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -66.24 -31.05 71.63 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.39 -49.8 65.61 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.73 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.12 -38.68 82.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.371 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 75' ' ' ILE . 52.0 mt-10 -59.62 -49.83 76.24 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.557 0.217 . . . . 0.0 110.672 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -57.33 -43.81 83.68 Favored 'General case' 0 C--O 1.25 1.092 0 C-N-CA 124.305 1.042 . . . . 0.0 109.606 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -62.26 -50.19 72.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.987 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.4 -40.83 97.78 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.409 ' HA ' HD12 ' A' ' 43' ' ' ILE . 78.1 mt -57.72 -43.08 83.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.327 0.584 . . . . 0.0 109.826 177.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -51.01 27.68 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.298 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -36.83 83.34 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.05 -39.99 68.69 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.196 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -62.63 -28.38 69.86 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.331 0.395 . . . . 0.0 111.282 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -79.56 8.53 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.562 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.48 23.09 77.83 Favored Glycine 0 CA--C 1.501 -0.813 0 CA-C-O 121.298 0.388 . . . . 0.0 112.756 176.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -98.4 -7.81 28.05 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -134.77 157.5 46.57 Favored 'General case' 0 CA--C 1.494 -1.175 0 CA-C-O 120.839 0.352 . . . . 0.0 111.202 176.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.9 t -171.29 -40.31 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -85.29 167.5 15.57 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.991 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -67.96 120.74 14.71 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -174.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.47 119.91 39.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 104.94 -2.244 . . . . 0.0 104.94 168.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -83.42 178.85 7.85 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.708 -176.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -57.62 -40.33 78.92 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 122.577 0.351 . . . . 0.0 110.995 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -57.71 -34.54 69.58 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.461 0.704 . . . . 0.0 110.818 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -75.59 -45.14 18.8 Favored Glycine 0 N--CA 1.437 -1.26 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.64 -38.14 86.59 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.574 -0.313 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.509 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 89.5 mt -62.41 -36.1 73.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.94 178.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 38.9 tt0 -68.88 -41.61 78.1 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.765 177.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 85.1 mt -62.87 -37.29 78.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.67 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.21 -41.53 93.22 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.391 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 95.4 mttt -58.79 -47.26 85.38 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 56.9 mtpt -60.82 -44.07 97.38 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.672 -177.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.3 m -77.92 -22.81 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.7 m -77.66 -31.27 52.52 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -72.67 -55.16 7.25 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.445 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -161.76 -82.35 0.04 OUTLIER 'General case' 0 N--CA 1.417 -2.09 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.979 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.2 p -147.84 -74.49 0.19 Allowed 'General case' 0 N--CA 1.427 -1.623 0 CA-C-O 121.822 0.82 . . . . 0.0 110.102 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -155.64 -48.43 0.08 Allowed 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm 76.8 67.58 0.05 Allowed 'General case' 0 C--O 1.243 0.718 0 CA-C-N 112.754 -2.021 . . . . 0.0 109.039 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.2 m -89.31 -65.0 1.06 Allowed 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 43.6 m -95.67 103.58 15.46 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.2 p -85.35 124.84 32.42 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.643 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.9 m -77.21 103.75 4.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.859 0.838 . . . . 0.0 111.189 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -125.88 13.27 7.92 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.361 -177.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -166.87 170.37 12.31 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 54.0 t30 . . . . . 0 C--N 1.301 -1.539 0 CA-C-O 118.659 -0.686 . . . . 0.0 109.308 179.114 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.653 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.419 ' HB2' ' HB3' ' A' ' 4' ' ' GLU . 49.4 m -163.4 101.44 0.94 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.28 -47.97 55.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.23 -42.12 84.54 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.432 0.634 . . . . 0.0 110.45 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' HB3' ' HB2' ' A' ' 1' ' ' SER . 9.8 tp10 -64.88 -43.85 91.6 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.669 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.78 -35.25 76.81 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.591 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.5 tp -62.37 -48.54 79.31 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -60.2 -35.32 75.13 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.056 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.99 -48.38 65.95 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.403 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.01 -43.72 98.24 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -57.11 -40.03 76.26 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.29 1.036 . . . . 0.0 111.379 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -80.7 -34.53 34.54 Favored 'General case' 0 C--N 1.312 -1.027 0 O-C-N 122.238 -0.289 . . . . 0.0 111.667 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -57.36 -44.02 83.99 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 124.178 0.991 . . . . 0.0 112.163 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -34.17 77.23 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.03 -0.668 . . . . 0.0 111.023 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mp -72.68 -29.31 63.31 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-O 121.181 0.515 . . . . 0.0 111.228 175.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.55 -24.66 65.56 Favored 'General case' 0 C--O 1.212 -0.917 0 C-N-CA 123.968 0.907 . . . . 0.0 111.844 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -50.97 -25.93 5.31 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.687 1.195 . . . . 0.0 113.77 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.452 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 3.4 tm? -74.02 -57.89 3.66 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-O 121.351 0.596 . . . . 0.0 109.966 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -71.47 -40.37 70.32 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.009 -176.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.57 3.04 42.41 Favored 'General case' 0 C--N 1.29 -2.0 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -170.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 23.0 pttp -80.8 106.82 13.1 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.826 177.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -125.51 25.72 6.96 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.808 0.813 . . . . 0.0 109.025 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.39 45.92 0.74 Allowed Glycine 0 N--CA 1.433 -1.553 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 9.4 p-10 -121.54 120.62 28.73 Favored Pre-proline 0 C--N 1.309 -1.192 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 23' ' ' ASP . 17.0 Cg_exo -69.04 -24.62 32.77 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 122.499 2.133 . . . . 0.0 113.057 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.95 -114.09 5.63 Favored Glycine 0 C--O 1.24 0.504 0 N-CA-C 111.556 -0.617 . . . . 0.0 111.556 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -57.91 -36.84 73.03 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 122.524 0.33 . . . . 0.0 111.193 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.0 -27.78 69.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.041 0.448 . . . . 0.0 111.5 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.34 -42.53 18.61 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 121.122 0.487 . . . . 0.0 109.844 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -65.93 -42.36 90.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.948 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -60.15 -39.15 85.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.382 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.92 -41.68 91.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.977 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.09 -34.88 73.7 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.519 0.676 . . . . 0.0 109.942 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -69.81 -26.42 64.24 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -69.2 -28.71 66.62 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.928 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -64.64 -44.04 91.73 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 33.1 mt-10 -58.26 -47.19 84.39 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.89 176.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.95 -56.02 27.63 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.694 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -54.58 -46.54 73.74 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -175.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -66.56 -36.85 83.67 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 123.339 0.4 . . . . 0.0 111.629 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.466 ' NH1' ' HB3' ' A' ' 36' ' ' GLU . 65.0 mtt180 -76.62 -45.17 31.16 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.482 0.658 . . . . 0.0 111.698 177.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -59.72 -31.69 69.85 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 124.373 1.069 . . . . 0.0 113.215 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.6 p -59.04 -48.16 82.62 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.8 pt -75.53 -37.98 38.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.975 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 97.1 mt -60.08 -44.74 94.57 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.369 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.2 -18.44 65.31 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.8 -25.88 16.46 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.4 m -94.94 -32.74 4.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.15 0.5 . . . . 0.0 111.42 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -91.25 129.36 37.25 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.84 156.74 19.86 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 172.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -55.48 -34.53 64.66 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 122.768 0.427 . . . . 0.0 110.736 -177.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.9 p -65.36 -46.71 79.07 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.335 0.588 . . . . 0.0 110.589 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.06 -38.84 75.89 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.662 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -64.67 -42.22 95.51 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.54 79.47 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.05 175.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -58.39 -39.93 81.0 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.762 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.2 tp -69.39 -29.19 66.89 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 121.138 0.494 . . . . 0.0 110.949 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.4 m -68.27 -38.83 82.14 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 175.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.64 -36.93 85.44 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.416 173.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.82 -35.08 78.73 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.566 176.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.78 -23.14 67.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.538 0.685 . . . . 0.0 111.03 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.8 mt -85.41 -14.37 46.46 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.097 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.2 m -113.63 -49.42 5.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -139.77 88.5 12.15 Favored Pre-proline 0 C--O 1.251 1.138 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.82 -35.93 64.89 Favored 'Trans proline' 0 CA--C 1.518 -0.306 0 C-N-CA 122.676 2.251 . . . . 0.0 111.549 -177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.9 -49.13 69.27 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.833 0.708 . . . . 0.0 110.804 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -76.02 -29.53 58.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.503 -176.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.4 m -60.87 -51.23 70.19 Favored 'General case' 0 C--O 1.224 -0.269 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -60.95 -36.37 79.18 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.565 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.38 -48.71 71.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.582 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -68.8 -37.72 77.81 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.891 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.532 ' O ' HG13 ' A' ' 75' ' ' ILE . 64.9 mt-10 -60.48 -46.21 90.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -58.26 -40.47 81.93 Favored 'General case' 0 C--O 1.245 0.866 0 C-N-CA 124.199 1.0 . . . . 0.0 109.611 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -65.28 -48.01 74.69 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.237 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.56 -38.11 88.78 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 71' ' ' GLU . 91.1 mt -57.06 -41.13 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 121.15 0.5 . . . . 0.0 110.299 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -75.44 -51.89 12.0 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.267 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.5 tpp -63.46 -32.13 73.48 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -174.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.45 -37.63 67.98 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 120.8 0.333 . . . . 0.0 110.949 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -73.07 -11.03 60.4 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -80.76 -5.92 57.79 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 120.991 0.424 . . . . 0.0 110.818 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.36 12.6 84.11 Favored Glycine 0 CA--C 1.506 -0.484 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.617 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -85.52 -24.65 27.21 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 121.869 0.843 . . . . 0.0 109.04 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 83' ' ' LEU . 4.3 mm? -89.63 102.18 14.86 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.082 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 t -150.6 27.92 0.72 Allowed 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 104.759 -2.311 . . . . 0.0 104.759 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -153.2 162.38 41.37 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 112.902 -1.954 . . . . 0.0 105.756 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -93.1 138.35 31.63 Favored 'General case' 0 C--N 1.275 -2.634 0 O-C-N 123.974 0.796 . . . . 0.0 110.573 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.0 t -93.9 117.24 37.04 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.178 0 N-CA-C 106.541 -1.652 . . . . 0.0 106.541 172.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.6 m -89.99 -173.82 4.01 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 93' ' ' ILE . 38.6 mt-10 -59.24 -44.04 92.36 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 122.795 0.438 . . . . 0.0 112.05 -173.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 94' ' ' GLU . 10.3 tt0 -61.4 -45.17 95.48 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 123.249 0.343 . . . . 0.0 110.761 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.73 -38.65 96.5 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.12 -44.39 96.75 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 89' ' ' GLU . 91.1 mt -64.17 -34.76 70.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.202 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 37.9 mm-40 -62.34 -49.94 73.6 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.77 -38.35 82.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.432 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.51 -41.81 86.25 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 123.264 0.625 . . . . 0.0 110.485 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 101' ' ' GLN . 54.9 mtmt -68.52 -41.47 79.88 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.526 176.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.527 ' HA ' ' OE1' ' A' ' 101' ' ' GLN . 28.3 mtpp -60.71 -40.8 93.65 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.031 0.532 . . . . 0.0 112.181 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.4 m -76.72 -18.39 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 121.229 0.538 . . . . 0.0 111.378 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.7 m -79.13 -24.37 43.4 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-O 121.22 0.533 . . . . 0.0 109.807 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.527 ' OE1' ' HA ' ' A' ' 98' ' ' LYS . 88.8 mt-30 -66.74 -68.76 0.35 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 176.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -143.84 -79.98 0.2 Allowed 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.2 m -128.62 -46.06 1.31 Allowed 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 103.01 -2.959 . . . . 0.0 103.01 172.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HB2' ' HE3' ' A' ' 98' ' ' LYS . 2.8 pt-20 -167.97 147.85 4.89 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 113.277 -1.783 . . . . 0.0 107.519 166.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.532 ' O ' HG22 ' A' ' 106' ' ' THR . 54.8 tttp -137.37 167.53 21.43 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 171.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 105' ' ' LYS 0.282 1.3 t 92.31 137.01 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 128.097 2.559 . . . . 0.0 112.175 179.004 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.0 t -135.53 -0.27 2.67 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 113.956 -1.475 . . . . 0.0 107.726 174.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.418 HG22 ' OG1' ' A' ' 106' ' ' THR . 7.4 t -84.85 -33.14 22.93 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.926 -177.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.5 p -107.74 88.79 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.261 0 CA-C-O 122.662 1.22 . . . . 0.0 111.976 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -101.93 -31.45 10.68 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 114.023 -1.444 . . . . 0.0 107.29 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 39.0 t80 68.74 7.82 6.37 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.614 1.566 . . . . 0.0 112.959 171.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.304 -1.394 0 O-C-N 121.87 -0.519 . . . . 0.0 110.815 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.583 0 N-CA-C 111.466 -0.653 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.489 ' HB3' ' HB2' ' A' ' 4' ' ' GLU . 67.6 m -76.17 84.25 2.99 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -176.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.96 -54.77 5.7 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -78.09 -40.27 38.89 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.105 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 1' ' ' SER . 2.3 mp0 -65.12 -42.07 94.28 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.82 -176.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.461 ' HG3' ' HB2' ' A' ' 1' ' ' SER . 46.9 mt-10 -72.98 -27.48 61.84 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.389 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.63 -52.95 54.72 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.63 -43.68 76.39 Favored 'General case' 0 C--O 1.222 -0.365 0 O-C-N 123.718 0.636 . . . . 0.0 111.296 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.66 -56.61 18.34 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.625 0.578 . . . . 0.0 111.189 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.5 tp -63.65 -41.26 98.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.769 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -56.07 -47.95 76.99 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 124.006 0.923 . . . . 0.0 109.855 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -74.77 -34.6 62.49 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.13 -45.03 83.87 Favored 'General case' 0 C--O 1.237 0.424 0 O-C-N 123.516 0.51 . . . . 0.0 110.58 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -79.39 -46.32 17.82 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.024 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.38 -32.94 74.5 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.2 -27.25 67.1 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.016 0.436 . . . . 0.0 111.391 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.37 -33.45 42.89 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -71.6 -42.05 68.19 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 72.1 -58.33 0.59 Allowed 'General case' 0 C--O 1.242 0.683 0 C-N-CA 126.822 2.049 . . . . 0.0 113.148 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.46 81.16 2.5 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -173.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -87.89 93.49 9.48 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . 0.296 9.2 p-80 -85.75 81.63 8.52 Favored 'General case' 0 CA--C 1.502 -0.88 0 CA-C-O 122.732 1.253 . . . . 0.0 111.463 -178.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.66 88.71 0.1 Allowed Glycine 0 N--CA 1.404 -3.486 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -130.83 141.2 41.12 Favored Pre-proline 0 C--N 1.29 -2.007 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -85.03 14.46 2.47 Favored 'Trans proline' 0 C--N 1.329 -0.476 0 C-N-CA 122.803 2.335 . . . . 0.0 113.522 -177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.532 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -111.36 -79.45 1.01 Allowed Glycine 0 N--CA 1.428 -1.857 0 C-N-CA 119.906 -1.14 . . . . 0.0 111.846 -178.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 27.0 t70 -68.35 -50.7 51.39 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 123.185 0.594 . . . . 0.0 110.411 -176.093 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.29 -26.67 67.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.416 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.6 55.45 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 120.88 0.371 . . . . 0.0 110.388 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 25' ' ' GLY . 12.6 mm100 -69.2 -46.78 66.6 Favored 'General case' 0 C--O 1.248 1.021 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.514 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 14.6 mm-40 -58.09 -45.41 87.24 Favored 'General case' 0 C--O 1.206 -1.227 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.137 -176.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -61.54 -27.15 68.41 Favored 'General case' 0 C--O 1.246 0.902 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.55 -45.07 16.43 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -63.93 -32.87 74.55 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.663 0.744 . . . . 0.0 109.653 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.538 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 30.1 t-80 -51.75 -55.51 19.29 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 126.02 1.728 . . . . 0.0 108.892 178.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -70.84 -28.79 64.86 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.712 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -63.79 -43.25 96.88 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 120.86 0.362 . . . . 0.0 110.773 176.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.24 74.82 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.971 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 34' ' ' HIS . 43.8 mt-10 -56.78 -47.31 80.45 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.337 -178.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 52.9 ttm -57.39 -46.72 83.13 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.779 0.674 . . . . 0.0 111.641 -177.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.0 mtp-105 -70.92 -52.22 21.31 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -57.01 -46.7 82.11 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.888 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.459 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 28.6 m -67.62 -41.11 84.45 Favored 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -176.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.3 pt -72.15 -38.1 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 119.118 -1.033 . . . . 0.0 110.758 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.69 -41.11 98.94 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.468 176.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.65 -22.23 64.41 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 42' ' ' SER . 14.2 mm100 -87.42 -32.14 19.7 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.355 178.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.6 m -88.81 -35.78 8.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.732 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.7 mt -101.34 125.96 48.04 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -78.36 -175.36 4.19 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.468 -0.893 . . . . 0.0 108.84 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -55.55 -40.76 72.32 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -169.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 m -79.72 -31.09 41.12 Favored 'General case' 0 C--O 1.213 -0.826 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.383 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.8 -35.31 72.48 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -65.04 -42.67 94.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.911 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.11 91.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.352 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.574 ' HD3' ' OE1' ' A' ' 89' ' ' GLU . 9.5 tpt180 -64.67 -36.35 83.98 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.881 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.528 HD12 HD11 ' A' ' 59' ' ' LEU . 53.0 tp -63.81 -45.23 90.57 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.797 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.2 m -62.83 -42.75 99.86 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.547 0.689 . . . . 0.0 110.116 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -56.05 -47.01 78.7 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.692 176.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.528 HD11 HD12 ' A' ' 56' ' ' LEU . 4.5 pp -74.74 -33.01 62.27 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 121.208 0.528 . . . . 0.0 111.706 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.513 ' HA ' ' OG1' ' A' ' 67' ' ' THR . . . -59.66 -39.0 82.99 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.769 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.3 tp -72.09 -26.58 62.21 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.74 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.0 m -93.23 -46.48 13.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 120.182 -0.607 . . . . 0.0 112.303 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -141.01 87.88 10.62 Favored Pre-proline 0 C--O 1.244 0.807 0 O-C-N 122.145 -0.347 . . . . 0.0 110.119 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.476 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 36.9 Cg_endo -67.14 -10.96 30.44 Favored 'Trans proline' 0 C--O 1.245 0.835 0 C-N-CA 122.692 2.262 . . . . 0.0 112.769 -178.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -66.37 -45.79 78.91 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -77.96 -28.9 49.56 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.226 -177.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.513 ' OG1' ' HA ' ' A' ' 60' ' ' ALA . 2.4 m -59.09 -41.54 88.29 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.989 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 54.9 mtmt -57.72 -46.18 84.77 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.035 178.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.27 -47.38 82.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.826 0.704 . . . . 0.0 111.965 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.77 -43.6 93.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.843 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 75' ' ' ILE . 63.6 mt-10 -61.65 -46.06 91.38 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.85 -40.25 75.76 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.159 0.984 . . . . 0.0 110.728 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -74.09 -45.07 51.49 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.106 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.02 -43.38 95.31 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 71' ' ' GLU . 74.5 mt -56.48 -46.79 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 123.361 0.413 . . . . 0.0 110.559 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -64.49 -51.15 64.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.0 ttp -64.02 -36.57 84.43 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.031 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.3 82.91 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.92 0.39 . . . . 0.0 110.193 175.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -62.02 -39.31 91.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.775 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -72.64 -11.42 60.63 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.354 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.3 31.46 46.66 Favored Glycine 0 N--CA 1.437 -1.294 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.324 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -85.1 -8.79 58.49 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.856 0.36 . . . . 0.0 111.515 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 83' ' ' LEU . 4.4 mm? -89.39 152.4 21.52 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.24 1.019 . . . . 0.0 113.166 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.5 t -169.56 121.21 0.71 Allowed 'General case' 0 N--CA 1.386 -3.64 0 N-CA-C 100.913 -3.736 . . . . 0.0 100.913 177.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 78.03 175.02 0.17 Allowed 'General case' 0 C--N 1.303 -1.423 0 O-C-N 125.105 1.503 . . . . 0.0 108.559 -174.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.89 162.28 13.81 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.81 -0.556 . . . . 0.0 110.624 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.6 t -99.5 132.52 44.8 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 175.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.3 m -89.56 178.02 6.4 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.574 ' OE1' ' HD3' ' A' ' 55' ' ' ARG . 44.7 mt-10 -57.17 -48.4 78.82 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.572 0.349 . . . . 0.0 111.476 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -61.33 -34.29 75.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.362 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.15 -40.19 88.15 Favored Glycine 0 N--CA 1.451 -0.317 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.0 tp -66.9 -37.88 85.22 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 99.1 mt -67.19 -33.23 61.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.52 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -42.05 99.59 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.0 -42.26 82.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.046 175.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.4 tp -55.63 -38.54 69.64 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.704 0.802 . . . . 0.0 110.73 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -59.55 -53.77 54.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.541 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.534 ' HD3' ' HA ' ' A' ' 104' ' ' GLU . 4.2 ptpp? -69.67 -29.85 67.38 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -175.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 32.2 m -76.39 -21.51 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.189 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.3 m -78.41 -23.56 46.66 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-O 121.618 0.723 . . . . 0.0 109.308 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -80.32 -66.24 0.91 Allowed 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.705 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -140.96 -75.39 0.32 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.888 0.851 . . . . 0.0 109.837 177.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.1 m -158.91 -56.53 0.07 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 176.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.534 ' HA ' ' HD3' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -133.76 130.36 37.93 Favored 'General case' 0 N--CA 1.408 -2.543 0 CA-C-N 113.997 -1.456 . . . . 0.0 107.998 173.644 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.458 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 7.5 mmpt? -141.17 132.45 26.6 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.9 t -120.46 85.66 2.43 Favored 'General case' 0 C--N 1.282 -2.342 0 CA-C-O 122.336 1.065 . . . . 0.0 108.82 175.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.1 t -101.85 129.23 48.03 Favored 'General case' 0 N--CA 1.418 -2.03 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.217 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 38.1 m -143.13 146.46 33.77 Favored 'General case' 0 C--N 1.279 -2.479 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.7 t 67.53 88.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.251 1.174 0 CA-C-O 121.821 0.82 . . . . 0.0 108.841 -172.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -167.35 -62.01 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.276 -177.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -84.11 -24.89 30.1 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.992 0.901 . . . . 0.0 109.029 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--N 1.294 -1.839 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -179.685 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.746 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.2 m 66.7 30.72 8.03 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 176.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 5' ' ' GLU . . . -71.5 -39.58 70.74 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.469 0.652 . . . . 0.0 110.975 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -78.42 -32.16 48.49 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.84 0.828 . . . . 0.0 108.855 176.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.47 -34.25 75.61 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.047 -176.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 14.1 pt-20 -64.17 -34.82 78.95 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.4 -47.43 73.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -56.73 -55.45 34.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.242 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.95 93.26 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.966 -177.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.8 tp -67.85 -41.99 82.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.497 -177.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 ttp-105 -60.25 -43.57 95.99 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -62.98 -37.96 89.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.013 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -68.09 -52.24 37.31 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.247 0.546 . . . . 0.0 110.136 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -64.67 -25.14 67.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.724 -177.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.98 -40.81 94.84 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.95 0.5 . . . . 0.0 110.032 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.35 -29.6 59.98 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.486 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -66.55 -41.1 89.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.898 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 tt -63.34 -53.19 56.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 68.07 -51.4 0.53 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.608 1.563 . . . . 0.0 114.762 173.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.24 128.9 39.03 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 123.964 0.905 . . . . 0.0 111.781 -176.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -122.9 71.71 1.06 Allowed 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -143.57 12.99 1.73 Allowed 'General case' 0 C--N 1.283 -2.293 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 169.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.41 -3.93 61.13 Favored Glycine 0 CA--C 1.503 -0.693 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.549 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 4.2 p-10 -97.53 141.73 23.45 Favored Pre-proline 0 C--N 1.305 -1.366 0 C-N-CA 123.537 0.735 . . . . 0.0 109.368 178.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 23' ' ' ASP . 13.2 Cg_exo -75.63 -8.84 19.63 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.449 2.099 . . . . 0.0 111.046 173.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.09 -125.82 19.27 Favored Glycine 0 N--CA 1.438 -1.194 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.536 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.58 -41.58 77.2 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 123.387 0.675 . . . . 0.0 111.469 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.27 -43.47 92.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.772 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.49 -49.0 62.97 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.125 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -58.83 -43.12 90.59 Favored 'General case' 0 CA--C 1.516 -0.339 0 O-C-N 124.168 0.918 . . . . 0.0 111.045 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -57.65 -57.79 11.19 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.376 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.44 -31.91 71.55 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 36' ' ' GLU . . . -67.21 -45.65 76.21 Favored 'General case' 0 C--O 1.211 -0.971 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 24.4 tptp -68.14 -35.89 78.8 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 121.273 0.559 . . . . 0.0 110.078 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.499 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 15.2 t-160 -56.41 -52.51 64.38 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 123.909 0.884 . . . . 0.0 108.915 174.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.04 -25.76 61.06 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.107 -178.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' A' ' 33' ' ' LYS . 2.4 tm-20 -59.72 -50.31 74.35 Favored 'General case' 0 C--N 1.312 -1.05 0 C-N-CA 124.923 1.289 . . . . 0.0 108.093 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.83 82.47 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.709 176.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 34' ' ' HIS . 43.3 mt-10 -57.98 -47.31 83.37 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 123.387 0.43 . . . . 0.0 110.339 177.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.433 ' O ' HG12 ' A' ' 43' ' ' ILE . 90.7 mtp -59.38 -50.12 75.18 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 123.833 0.708 . . . . 0.0 111.371 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -56.82 -51.28 69.6 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 121.413 0.625 . . . . 0.0 110.471 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.33 -48.15 82.65 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.524 -176.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.0 p -69.1 -41.12 77.89 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.437 ' O ' HG12 ' A' ' 47' ' ' VAL . 28.6 pt -66.67 -40.09 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 C-N-CA 119.664 -0.814 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.18 -43.44 82.19 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 121.285 -0.166 . . . . 0.0 110.706 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.64 -24.51 67.61 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -96.46 -35.63 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.063 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 43' ' ' ILE . 10.8 p -75.33 -30.83 23.07 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.007 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.633 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.423 HD23 ' HB ' ' A' ' 87' ' ' VAL . 96.8 mt -106.46 126.24 52.0 Favored 'General case' 0 N--CA 1.421 -1.883 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 177.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -66.15 161.63 21.51 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 173.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -48.36 -37.08 15.85 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 124.151 0.98 . . . . 0.0 110.767 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.575 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 22.8 p -66.83 -48.28 69.39 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.058 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.11 -35.7 78.57 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.387 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -59.58 -40.2 86.61 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.514 0.326 . . . . 0.0 110.445 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.47 92.43 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.198 0.523 . . . . 0.0 110.211 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' A' ' 51' ' ' SER . 5.8 mpt_? -67.34 -39.49 85.81 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.926 178.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.25 -38.02 89.54 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.079 0.466 . . . . 0.0 109.885 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.406 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 39.7 t -66.62 -45.34 79.42 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.634 177.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -57.46 -51.41 69.56 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.679 0.392 . . . . 0.0 110.87 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.2 -32.6 72.37 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.351 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.402 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -68.2 -33.24 74.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.184 0.516 . . . . 0.0 110.978 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 57' ' ' SER . 94.2 mt -76.63 -30.06 56.71 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.115 -177.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 m -89.51 -59.29 2.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 C-N-CA 120.406 -0.518 . . . . 0.0 112.184 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -141.78 97.26 6.58 Favored Pre-proline 0 C--N 1.321 -0.649 0 O-C-N 121.982 -0.449 . . . . 0.0 111.154 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.461 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 18.5 Cg_exo -64.76 -10.38 24.66 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 123.122 2.548 . . . . 0.0 111.221 177.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -51.93 -56.32 14.85 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 126.141 1.776 . . . . 0.0 108.828 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -79.02 -29.88 43.87 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.757 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.461 ' OG1' ' HA ' ' A' ' 64' ' ' PRO . 4.3 m -57.62 -47.91 80.89 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.173 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 49.3 mtmt -61.63 -31.68 71.78 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.054 0.454 . . . . 0.0 110.904 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.33 -50.49 38.67 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.239 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.1 m -67.15 -39.15 82.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.942 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -56.4 -48.53 76.73 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 117.798 0.272 . . . . 0.0 110.557 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.26 -41.65 76.16 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.438 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -67.78 -48.15 67.15 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.862 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.27 -38.47 87.88 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.73 -43.68 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.46 -45.36 76.21 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.217 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.3 ttt -59.49 -42.8 92.94 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 121.222 0.534 . . . . 0.0 110.732 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.64 -31.43 66.84 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.187 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -64.74 -31.86 73.28 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.357 0.599 . . . . 0.0 109.387 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -75.03 -25.34 58.66 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.438 176.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.0 29.25 74.35 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -102.33 16.79 25.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.011 0.434 . . . . 0.0 111.82 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 47' ' ' VAL . 1.2 pp -84.35 118.69 24.38 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 176.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 m -84.96 -39.93 17.55 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 121.488 0.661 . . . . 0.0 109.399 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -124.77 179.84 4.82 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -81.54 145.15 30.82 Favored 'General case' 0 N--CA 1.409 -2.484 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 170.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.423 ' HB ' HD23 ' A' ' 48' ' ' LEU . 98.2 t -69.18 126.19 28.7 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.335 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.4 p -78.45 176.7 9.13 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.766 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' HG13 ' A' ' 93' ' ' ILE . 43.5 mt-10 -59.85 -48.41 81.79 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 174.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.489 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 19.8 mp0 -60.13 -45.06 94.31 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.093 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.32 -41.24 99.75 Favored Glycine 0 N--CA 1.45 -0.43 0 O-C-N 123.694 0.621 . . . . 0.0 112.509 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.7 tp -65.91 -37.81 87.07 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-O 120.907 0.384 . . . . 0.0 110.013 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 89' ' ' GLU . 98.1 mt -66.32 -29.67 47.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.379 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 36.8 mt-10 -68.7 -36.58 78.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.368 0.604 . . . . 0.0 110.009 174.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.437 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 72.4 mt -70.92 -35.88 61.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.709 0.766 . . . . 0.0 109.157 176.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.8 tp -64.28 -43.35 95.07 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.929 178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 94' ' ' GLU . 19.4 ptpt -69.4 -34.75 74.96 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.03 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 95' ' ' ILE . 21.3 ptmt -68.78 -36.9 78.87 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 119.991 -0.684 . . . . 0.0 110.506 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.7 m -82.6 -18.94 10.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.914 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 t -60.94 -39.16 88.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.826 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -100.21 -47.07 5.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.626 0.727 . . . . 0.0 110.233 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -130.01 -120.92 0.22 Allowed 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.213 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.9 m -162.58 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -169.02 134.16 1.56 Allowed 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt 166.55 -55.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 126.602 1.961 . . . . 0.0 107.883 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.8 p -136.17 83.82 2.04 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 96.2 m -81.03 86.24 6.16 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-O 122.779 1.276 . . . . 0.0 113.133 -175.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.1 m -148.4 105.04 3.56 Favored 'General case' 0 N--CA 1.419 -2.018 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 171.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.3 t -81.2 114.15 21.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.872 -171.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -112.05 104.58 12.84 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.596 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -88.77 83.71 6.69 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 . . . . . 0 C--N 1.301 -1.516 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -178.658 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.412 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.6 m -85.42 90.68 8.01 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.33 -51.89 56.2 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -172.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.3 -38.98 92.96 Favored 'General case' 0 C--N 1.316 -0.849 0 O-C-N 123.63 0.581 . . . . 0.0 111.867 -176.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.07 -46.97 72.7 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.253 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.34 -34.78 78.74 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.379 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.85 -43.49 75.34 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 35.4 tt0 -62.09 -40.3 95.4 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.02 88.32 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.7 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.97 -45.67 80.87 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -59.39 -47.71 84.41 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.686 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 61.4 mtt-85 -57.43 -41.23 80.03 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.913 0.485 . . . . 0.0 110.917 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.98 -37.77 66.92 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.031 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.565 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -70.33 -36.27 74.15 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.285 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.89 -31.34 72.37 Favored 'General case' 0 CA--C 1.502 -0.885 0 C-N-CA 123.233 0.613 . . . . 0.0 111.61 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.08 68.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.559 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' HG3' ' NH2' ' A' ' 13' ' ' ARG . 26.7 mm-40 -80.98 -25.17 37.5 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.33 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -82.82 -60.64 2.1 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -176.97 -0.12 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.224 0 C-N-CA 124.558 1.143 . . . . 0.0 112.905 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 65.1 -168.75 0.21 Allowed 'General case' 0 C--O 1.243 0.746 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -170.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -94.82 134.05 37.86 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.221 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -101.15 81.74 2.27 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 121.402 0.62 . . . . 0.0 111.262 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.08 41.74 2.08 Favored Glycine 0 N--CA 1.432 -1.626 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -118.02 157.61 48.15 Favored Pre-proline 0 C--N 1.304 -1.374 0 CA-C-N 114.181 -1.01 . . . . 0.0 108.747 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -83.58 1.32 9.0 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.398 2.065 . . . . 0.0 112.758 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.83 110.39 3.1 Favored Glycine 0 N--CA 1.439 -1.128 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.568 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 30.8 t70 72.23 -50.63 0.7 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.062 1.345 . . . . 0.0 112.991 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.2 -23.91 50.93 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.69 0.796 . . . . 0.0 112.183 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.61 -27.51 67.76 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 9.7 pt20 -75.14 -31.28 61.03 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 119.587 -0.845 . . . . 0.0 108.971 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -66.68 -40.05 88.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -57.48 -55.02 40.18 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 123.945 0.778 . . . . 0.0 109.701 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.11 95.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.092 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.78 -35.6 78.97 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.708 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -66.78 -35.2 79.52 Favored 'General case' 0 C--O 1.211 -0.962 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.0 mtp85 -67.39 -37.7 83.52 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.703 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -66.87 -54.25 24.16 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.897 176.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.78 -33.51 73.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.377 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.07 -49.61 77.24 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 60.2 ttp -84.67 -50.65 7.45 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.379 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 19.9 ttm180 -62.15 -51.49 67.65 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.521 0.728 . . . . 0.0 112.009 -172.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -63.98 -35.39 80.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.29 -176.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.6 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 29.1 m -71.63 -50.12 33.69 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 -178.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.444 ' O ' HG22 ' A' ' 47' ' ' VAL . 26.9 pt -62.87 -38.5 82.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.94 -178.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 94.7 mt -63.48 -38.74 92.3 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 120.983 0.42 . . . . 0.0 110.517 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.89 -18.75 62.66 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.917 0.389 . . . . 0.0 111.798 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' ' 42' ' ' SER . 6.4 mm-40 -95.04 -34.23 12.4 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.661 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 43' ' ' ILE . 34.9 m -96.27 -10.62 8.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.1 mt -112.6 129.98 56.19 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 121.352 0.596 . . . . 0.0 110.95 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.16 155.39 38.44 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 174.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -54.1 -31.64 52.54 Favored 'General case' 0 C--N 1.307 -1.275 0 C-N-CA 123.294 0.638 . . . . 0.0 111.541 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.442 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 30.6 p -64.59 -46.26 83.46 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.472 0.654 . . . . 0.0 110.205 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.49 81.09 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.541 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -69.46 -31.18 69.31 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.003 0.43 . . . . 0.0 111.323 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.22 -45.78 65.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 173.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.468 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -56.8 -44.35 81.86 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.375 0.67 . . . . 0.0 110.022 176.505 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.61 -42.23 87.7 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 124.767 1.227 . . . . 0.0 110.668 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 t -66.5 -41.64 88.6 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.928 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -66.1 -28.95 69.21 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.317 0.579 . . . . 0.0 110.954 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -34.59 69.31 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 123.726 0.81 . . . . 0.0 109.51 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.05 65.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.132 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.53 -16.58 60.82 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.0 m -101.88 -53.72 7.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 119.689 -0.805 . . . . 0.0 112.512 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -151.05 101.7 3.01 Favored Pre-proline 0 CA--C 1.508 -0.647 0 C-N-CA 123.024 0.53 . . . . 0.0 110.006 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -60.75 -22.79 74.59 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.178 2.585 . . . . 0.0 111.889 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -34.16 77.2 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.849 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.409 ' HE2' ' HA ' ' A' ' 100' ' ' SER . 23.7 mmmt -80.01 -30.39 39.58 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 119.466 -0.893 . . . . 0.0 109.231 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m -59.99 -51.17 70.79 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.548 0.739 . . . . 0.0 109.929 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -64.83 -30.83 71.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.089 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.13 -43.49 70.86 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.875 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.09 -40.53 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.996 177.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 75' ' ' ILE . 48.2 mt-10 -56.79 -45.41 82.19 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 176.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -58.66 -41.69 86.66 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 123.58 0.752 . . . . 0.0 110.929 178.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -65.36 -43.97 89.13 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.838 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.45 -37.34 85.53 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.244 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 71' ' ' GLU . 81.0 mt -54.49 -50.26 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 174.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.63 -47.44 81.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.639 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.4 ttt -61.29 -41.87 97.69 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 123.572 0.749 . . . . 0.0 110.613 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.18 -32.78 67.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.355 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -63.06 -38.94 93.19 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.752 0.821 . . . . 0.0 109.78 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -68.31 -42.14 79.82 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.549 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.34 28.91 34.86 Favored Glycine 0 CA--C 1.48 -2.142 0 C-N-CA 119.413 -1.375 . . . . 0.0 110.528 174.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -78.69 -12.8 60.04 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.737 -0.731 . . . . 0.0 109.232 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -141.9 163.3 33.26 Favored 'General case' 0 N--CA 1.42 -1.937 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.601 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.7 m -138.25 10.92 2.79 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 174.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -95.54 162.66 13.55 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 114.122 -1.399 . . . . 0.0 110.115 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.532 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 10.1 mptt -100.0 117.29 33.97 Favored 'General case' 0 N--CA 1.409 -2.487 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -178.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.2 t -80.26 136.23 23.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.9 m -92.26 -173.84 3.55 Favored 'General case' 0 C--O 1.249 1.045 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' O ' HG13 ' A' ' 93' ' ' ILE . 30.3 mt-10 -57.43 -48.12 79.97 Favored 'General case' 0 C--O 1.213 -0.841 0 C-N-CA 123.121 0.569 . . . . 0.0 111.537 -175.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -57.66 -41.87 82.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.515 0.509 . . . . 0.0 112.261 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.09 -39.74 88.56 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.2 tp -65.35 -36.23 83.37 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 120.836 0.35 . . . . 0.0 110.329 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 89' ' ' GLU . 90.2 mt -62.37 -37.07 77.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.574 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.92 -36.47 83.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.415 0.626 . . . . 0.0 109.706 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.406 ' HA ' ' HG2' ' A' ' 98' ' ' LYS . 83.1 mt -66.71 -38.87 82.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.574 176.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.6 -41.37 98.93 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.203 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 97' ' ' LYS . 8.1 mmpt? -63.73 -44.78 92.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.891 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.406 ' HG2' ' HA ' ' A' ' 95' ' ' ILE . 21.7 ptmt -71.31 -21.41 62.07 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.76 -2.99 9.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 C-N-CA 119.448 -0.901 . . . . 0.0 112.369 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.409 ' HA ' ' HE2' ' A' ' 66' ' ' LYS . 69.9 m -50.17 -43.02 52.05 Favored 'General case' 0 N--CA 1.444 -0.727 0 O-C-N 123.329 0.393 . . . . 0.0 110.984 175.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -104.92 -72.63 0.7 Allowed 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER 174.15 144.66 0.05 Allowed 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 124.837 1.255 . . . . 0.0 109.459 173.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.5 m -131.28 -91.21 0.43 Allowed 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.668 170.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -89.47 64.13 6.61 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-O 121.201 0.524 . . . . 0.0 110.106 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.717 ' HZ3' ' HB3' ' A' ' 105' ' ' LYS . 0.1 OUTLIER 175.92 140.39 0.06 Allowed 'General case' 0 CA--C 1.496 -1.133 0 C-N-CA 125.835 1.654 . . . . 0.0 109.515 179.582 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 m -94.78 121.41 36.34 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.101 0.477 . . . . 0.0 111.919 -173.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 93.9 m -115.98 131.08 57.04 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 172.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.4 m -54.89 -65.01 0.65 Allowed 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -174.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.28 164.03 22.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -175.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -97.8 132.15 43.66 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -100.89 55.64 0.86 Allowed 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 122.569 1.176 . . . . 0.0 107.908 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 47.9 t30 . . . . . 0 N--CA 1.424 -1.761 0 CA-C-N 114.236 -1.347 . . . . 0.0 107.534 -177.955 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.379 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.552 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 30.6 p -134.76 30.45 3.42 Favored 'General case' 0 C--N 1.289 -2.026 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.33 -41.46 63.02 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -175.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -70.79 -40.66 72.44 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.691 0.758 . . . . 0.0 108.987 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -67.46 -35.87 80.05 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.435 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 1' ' ' SER . 75.0 mm-40 -63.6 -40.62 97.4 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 123.294 0.638 . . . . 0.0 109.357 176.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.3 -43.68 93.97 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.647 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -58.15 -47.14 84.26 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.8 92.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.752 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.6 tp -62.34 -42.47 99.41 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.337 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -60.46 -41.61 94.48 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 124.731 1.212 . . . . 0.0 110.577 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -78.22 -29.89 48.55 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.21 -42.2 93.7 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 173.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.56 -37.31 72.91 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.812 0.845 . . . . 0.0 108.995 176.637 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -63.1 -37.36 86.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.822 178.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.66 81.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -64.93 -39.62 93.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.809 176.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.28 -31.57 72.82 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 123.607 0.763 . . . . 0.0 109.195 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -85.64 -5.31 59.28 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.749 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 65.84 18.87 11.24 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.943 1.297 . . . . 0.0 111.731 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HG3' ' H ' ' A' ' 21' ' ' HIS 0.286 9.5 ptpp? 47.52 -79.02 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.134 1.773 . . . . 0.0 114.274 -176.818 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.461 ' H ' ' HG3' ' A' ' 20' ' ' LYS . 30.2 t-80 -169.15 27.4 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.38 77.01 0.5 Allowed Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.198 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -93.35 145.6 30.31 Favored Pre-proline 0 C--N 1.302 -1.467 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.132 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -93.3 44.57 0.3 Allowed 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 123.48 2.786 . . . . 0.0 111.532 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.43 -164.19 7.34 Favored Glycine 0 C--O 1.244 0.748 0 CA-C-N 115.867 -0.606 . . . . 0.0 113.446 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.79 -31.78 72.64 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 122.401 -0.47 . . . . 0.0 111.748 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.31 -44.67 78.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.594 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.67 98.7 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -68.94 -25.63 64.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.686 178.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.55 -47.42 60.4 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -69.37 -32.14 71.0 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 176.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.72 -50.93 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -59.38 -42.76 92.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.046 176.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.509 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 12.0 t-160 -54.84 -50.2 69.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.968 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -74.17 -24.97 59.47 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.215 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -72.48 -32.05 65.91 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.666 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.77 -48.62 20.97 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.971 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 34' ' ' HIS . 9.0 mm-40 -53.28 -47.34 69.23 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -176.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 97.2 mmm -67.63 -38.57 84.08 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.945 0.402 . . . . 0.0 111.809 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.447 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 80.7 mtt85 -74.81 -29.3 61.04 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.715 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.408 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 66.4 t30 -57.37 -29.85 64.39 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 123.553 0.741 . . . . 0.0 110.862 -178.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -55.61 -49.95 71.44 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.842 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.1 pt -76.78 -38.26 29.43 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.573 177.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 91.1 mt -59.86 -40.27 88.04 Favored 'General case' 0 C--O 1.2 -1.527 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.53 -26.04 67.71 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -96.38 -19.26 19.34 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 121.468 0.652 . . . . 0.0 111.364 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.47 HG21 ' HB2' ' A' ' 78' ' ' ALA . 91.6 t -93.85 -44.66 13.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.268 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.3 mt -90.67 131.78 36.16 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.52 160.23 19.87 Favored 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 171.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -58.56 -34.09 70.65 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 122.421 0.288 . . . . 0.0 111.264 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 m -67.7 -34.21 76.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.91 69.62 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.464 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -44.76 96.29 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 120.822 0.344 . . . . 0.0 111.072 176.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.11 97.69 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.775 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.406 ' HD3' ' OE1' ' A' ' 89' ' ' GLU . 5.9 tpt180 -63.99 -41.3 97.55 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.66 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -49.12 78.47 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.453 1.101 . . . . 0.0 108.367 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.2 t -64.27 -29.82 70.9 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.161 -178.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -63.5 -40.68 97.72 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.729 0.299 . . . . 0.0 110.454 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.38 -32.19 66.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.348 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.54 78.19 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.623 0.725 . . . . 0.0 110.547 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.58 -24.01 62.69 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.97 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.2 m -97.7 -51.66 10.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 119.496 -0.882 . . . . 0.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -148.63 108.25 3.54 Favored Pre-proline 0 N--CA 1.466 0.357 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.95 -20.54 44.79 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.73 2.287 . . . . 0.0 112.003 -175.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.63 -35.64 78.48 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.857 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -79.99 -30.19 39.65 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.829 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 m -62.85 -51.99 64.88 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.357 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -60.58 -30.9 70.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.351 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.5 -49.05 62.56 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.473 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.57 -40.17 87.28 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 C-N-CA 119.834 -0.746 . . . . 0.0 111.458 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.422 ' O ' HG13 ' A' ' 75' ' ' ILE . 41.8 mt-10 -52.94 -50.44 64.02 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.969 0.507 . . . . 0.0 110.615 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.461 ' HA ' HD12 ' A' ' 75' ' ' ILE . 46.1 t-20 -62.48 -41.7 98.97 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.676 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -64.98 -36.98 86.13 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.284 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.75 -37.01 86.14 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.808 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 72' ' ' ASN . 64.8 mt -56.37 -48.18 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 175.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -62.21 -43.94 97.7 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.95 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.4 tpt -59.1 -45.4 90.96 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 122.896 0.478 . . . . 0.0 110.149 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.47 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -65.92 -37.17 85.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.523 0.678 . . . . 0.0 110.561 177.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -64.92 -40.15 94.62 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.618 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -72.92 -29.56 63.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.06 0.457 . . . . 0.0 110.287 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.69 34.89 37.76 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.73 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -94.88 19.09 10.7 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.107 0.479 . . . . 0.0 110.901 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -85.6 119.88 26.42 Favored 'General case' 0 CA--C 1.496 -1.107 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.195 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.5 m -100.01 -26.83 13.85 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 175.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -153.57 -166.83 2.51 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 125.382 1.473 . . . . 0.0 108.011 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.22 154.98 32.51 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 172.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.7 t -80.88 114.9 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.111 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 172.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 p -80.07 -179.72 7.17 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.607 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.443 ' O ' HG13 ' A' ' 93' ' ' ILE . 44.5 mt-10 -64.22 -44.77 90.86 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.408 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -61.33 -35.07 76.38 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.936 0.398 . . . . 0.0 110.703 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.3 -41.19 79.63 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.8 tp -66.33 -37.9 86.42 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.694 -0.253 . . . . 0.0 110.591 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 89' ' ' GLU . 97.8 mt -63.64 -35.47 72.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 122.532 0.333 . . . . 0.0 110.162 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.33 -43.95 96.3 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.96 -41.07 91.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.046 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 43.8 tp -62.27 -42.2 99.14 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.302 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -62.44 -32.61 73.5 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 122.671 0.388 . . . . 0.0 111.49 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 104' ' ' GLU . 99.3 mttt -66.68 -56.22 11.59 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.65 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.1 m -75.64 -17.71 15.67 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.568 -175.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.0 t -53.87 -53.63 49.84 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 123.828 0.851 . . . . 0.0 110.713 175.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -89.68 -48.51 7.23 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 119.386 -0.926 . . . . 0.0 112.032 -177.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -132.25 -85.27 0.48 Allowed 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.255 0.55 . . . . 0.0 110.268 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.7 m -158.18 -46.29 0.06 Allowed 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.509 ' HA ' ' HB3' ' A' ' 98' ' ' LYS . 9.7 pt-20 -134.15 174.83 10.07 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.318 176.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -117.79 -75.02 0.58 Allowed 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -176.88 -178.12 0.83 Allowed 'General case' 0 N--CA 1.416 -2.156 0 N-CA-C 103.879 -2.637 . . . . 0.0 103.879 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.4 t -150.46 151.41 32.7 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 t -82.12 137.56 34.96 Favored 'General case' 0 N--CA 1.427 -1.586 0 CA-C-O 121.563 0.697 . . . . 0.0 110.623 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 11.9 p -124.63 22.85 3.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -62.18 -40.83 97.34 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.386 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -147.05 140.55 25.57 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.638 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 . . . . . 0 C--O 1.256 1.413 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.442 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.485 0 N-CA-C 112.233 -0.347 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.485 ' O ' ' HG3' ' A' ' 5' ' ' GLU . 19.0 m -57.62 -29.98 64.97 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.522 0.729 . . . . 0.0 112.843 -176.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.9 89.72 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 120.739 0.304 . . . . 0.0 110.926 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -73.31 -28.98 62.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.301 0.572 . . . . 0.0 109.767 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.04 -48.34 74.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.836 176.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 1' ' ' SER . 48.0 mt-10 -59.77 -38.96 83.27 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.58 -45.16 94.19 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.921 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -68.43 -35.61 77.87 Favored 'General case' 0 C--O 1.2 -1.524 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.994 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -49.9 75.91 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 90.9 mt -57.04 -48.41 78.59 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 121.566 0.698 . . . . 0.0 109.607 175.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -57.59 -49.79 75.25 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 124.663 1.185 . . . . 0.0 111.539 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -64.47 -43.63 93.58 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 123.996 0.918 . . . . 0.0 112.188 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.575 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 35.1 tt0 -66.8 -45.09 79.5 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -59.35 -41.39 89.09 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.751 0.42 . . . . 0.0 110.498 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.1 tp -58.11 -40.95 82.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.623 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.55 -39.02 62.57 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.676 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 32.8 mt-10 -67.94 -41.2 82.9 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 17' ' ' LEU . 3.0 tm? -71.66 -25.32 62.08 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 176.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 64.02 62.05 0.9 Allowed 'General case' 0 CA--C 1.505 -0.764 0 C-N-CA 126.429 1.892 . . . . 0.0 110.548 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.13 136.49 34.36 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -63.36 -65.04 0.74 Allowed 'General case' 0 C--N 1.307 -1.247 0 O-C-N 123.868 0.73 . . . . 0.0 110.058 -175.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 52.42 33.02 12.23 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 122.802 1.287 . . . . 0.0 108.155 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -96.31 65.59 1.08 Allowed Glycine 0 N--CA 1.418 -2.511 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.746 -170.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -114.59 93.03 31.13 Favored Pre-proline 0 C--N 1.285 -2.2 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 172.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -67.59 -19.29 48.45 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.257 1.971 . . . . 0.0 112.294 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.28 52.87 2.77 Favored Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.814 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 18.1 t70 62.77 -71.26 0.05 Allowed 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 125.005 1.322 . . . . 0.0 114.373 176.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.14 81.6 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.382 0.61 . . . . 0.0 111.306 -176.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HA ' ' HG2' ' A' ' 31' ' ' GLU . . . -77.75 -25.84 49.46 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.99 -178.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 20.8 pt20 -81.0 -25.19 37.42 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.794 -0.763 . . . . 0.0 109.866 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -72.82 -38.95 66.98 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.542 ' O ' ' HD2' ' A' ' 35' ' ' ARG . 5.7 pt-20 -73.05 -26.53 61.32 Favored 'General case' 0 C--O 1.211 -0.951 0 C-N-CA 119.346 -0.942 . . . . 0.0 110.218 177.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.35 -34.29 73.64 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.361 0.6 . . . . 0.0 109.419 175.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.599 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 21.4 tptm -74.57 -22.0 59.21 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.621 176.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -81.52 -38.2 26.62 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.542 ' HD2' ' O ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -63.45 -27.5 69.33 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.238 0.615 . . . . 0.0 109.778 173.865 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.599 ' HB3' ' O ' ' A' ' 33' ' ' LYS . 2.4 tm-20 -52.56 -54.36 33.89 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 125.198 1.399 . . . . 0.0 109.486 179.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.83 -57.28 3.62 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.083 0.468 . . . . 0.0 111.646 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -60.01 -49.22 78.54 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.173 -0.922 . . . . 0.0 113.41 -170.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.416 ' O ' HG12 ' A' ' 43' ' ' ILE . 72.9 mtp -70.32 -45.14 66.8 Favored 'General case' 0 CA--C 1.484 -1.562 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.891 -178.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -58.73 -53.27 60.31 Favored 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 123.543 0.527 . . . . 0.0 112.086 -176.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -59.59 -43.7 93.59 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 123.447 0.467 . . . . 0.0 110.284 -177.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 m -66.33 -50.17 64.49 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 39' ' ' MET . 30.3 pt -74.58 -38.45 45.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 C-N-CA 119.91 -0.716 . . . . 0.0 112.343 -175.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.03 -40.3 87.19 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 122.357 -0.214 . . . . 0.0 110.752 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.24 -18.82 65.59 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 176.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -93.23 -46.39 7.42 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.971 -0.456 . . . . 0.0 111.397 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.9 t -71.92 -43.04 68.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.458 HD23 ' HB ' ' A' ' 87' ' ' VAL . 86.0 mt -92.57 131.57 37.58 Favored 'General case' 0 N--CA 1.415 -2.213 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.71 152.67 18.3 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.844 172.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -53.98 -31.37 50.61 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 123.655 0.782 . . . . 0.0 112.116 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -75.15 -34.69 61.64 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.84 -38.14 76.42 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -64.09 -43.04 96.6 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.073 176.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.5 -42.3 95.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.666 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 6.5 tpt180 -60.92 -46.52 90.33 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD11 ' HA ' ' A' ' 67' ' ' THR . 40.2 tp -68.04 -30.07 69.21 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.461 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.2 t -64.42 -29.77 70.82 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.677 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -71.01 -39.95 72.07 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.08 -31.94 71.6 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.318 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.56 -21.93 66.65 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-O 121.295 0.569 . . . . 0.0 111.739 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.53 -35.43 22.88 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.129 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.54 -51.79 12.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.424 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -146.77 86.83 6.53 Favored Pre-proline 0 C--O 1.248 1.013 0 C-N-CA 122.464 0.306 . . . . 0.0 110.255 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -59.79 -17.93 45.96 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.537 2.158 . . . . 0.0 112.17 178.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.86 -44.16 77.81 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -78.41 -29.36 47.15 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.736 -175.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.411 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 7.5 m -59.57 -50.22 74.73 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -53.93 -46.32 71.47 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.45 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.13 -46.16 74.93 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.998 -176.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.7 m -67.57 -40.65 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 119.316 -0.953 . . . . 0.0 110.638 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.598 ' O ' HG13 ' A' ' 75' ' ' ILE . 56.2 mt-10 -63.78 -39.82 95.18 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' HB2' ' HA ' ' A' ' 108' ' ' THR . 2.3 t-20 -57.89 -44.38 86.67 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.387 1.075 . . . . 0.0 110.464 175.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -66.97 -43.43 83.1 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.253 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.08 -37.41 87.33 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 71' ' ' GLU . 91.7 mt -54.85 -45.05 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -67.62 -50.85 56.1 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.024 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.5 mmt -59.42 -36.14 75.33 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-O 120.907 0.384 . . . . 0.0 111.973 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.77 -34.39 73.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.45 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -63.86 -32.27 73.74 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -80.02 -7.53 58.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.416 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.81 40.07 89.72 Favored Glycine 0 C--O 1.225 -0.449 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -97.58 -5.58 35.32 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 122.676 -0.308 . . . . 0.0 111.546 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.14 137.09 53.84 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.751 0.786 . . . . 0.0 111.969 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.5 m -144.88 -40.02 0.25 Allowed 'General case' 0 C--N 1.282 -2.33 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -81.77 161.98 23.08 Favored 'General case' 0 N--CA 1.427 -1.612 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.532 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 10.6 mptt -89.98 135.69 33.5 Favored 'General case' 0 C--N 1.288 -2.08 0 CA-C-O 121.601 0.715 . . . . 0.0 111.905 -173.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.458 ' HB ' HD23 ' A' ' 48' ' ' LEU . 47.2 t -84.47 118.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.6 p -81.29 178.95 8.07 Favored 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.405 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.501 ' OE2' ' HD3' ' A' ' 55' ' ' ARG . 30.8 mt-10 -57.74 -46.06 84.99 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 123.104 0.562 . . . . 0.0 110.657 179.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -62.06 -27.5 68.94 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.3 -42.48 11.85 Favored Glycine 0 N--CA 1.434 -1.451 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 35.1 tp -68.56 -33.87 74.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.663 0.268 . . . . 0.0 111.106 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 90.5 mt -60.03 -33.73 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.084 0.469 . . . . 0.0 110.533 176.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -68.22 -35.52 78.08 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.5 mm -69.29 -40.3 80.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.6 tp -59.22 -42.04 90.06 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.099 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.622 ' HE2' ' HA ' ' A' ' 97' ' ' LYS . 11.2 mmpt? -66.35 -35.73 81.09 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.493 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -66.79 -43.65 83.36 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.627 0.727 . . . . 0.0 109.503 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.7 m -80.29 -14.23 13.0 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.843 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.3 m -69.12 -20.5 64.05 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-O 121.019 0.438 . . . . 0.0 109.987 173.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -90.7 -75.87 0.45 Allowed 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.475 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -115.08 -31.31 6.08 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -173.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.3 m 68.46 97.3 0.06 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -168.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.92 103.56 0.37 Allowed 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 114.15 -1.387 . . . . 0.0 111.451 -171.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? 62.76 79.41 0.26 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.338 1.455 . . . . 0.0 108.599 -176.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.1 m -72.14 112.27 8.08 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 114.469 -1.241 . . . . 0.0 111.3 -173.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 98.0 m -152.8 -29.03 0.15 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.419 ' HA ' ' HB2' ' A' ' 72' ' ' ASN . 31.1 m 69.68 -80.37 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.712 1.205 . . . . 0.0 110.206 -174.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.2 m -169.29 171.04 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.883 0 C-N-CA 127.3 2.24 . . . . 0.0 105.932 175.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -89.8 105.54 17.87 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -87.31 172.23 10.02 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.769 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 39.6 t30 . . . . . 0 C--N 1.309 -1.16 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.739 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.446 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.479 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 3.8 m -84.78 105.43 15.56 Favored 'General case' 0 N--CA 1.422 -1.841 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.03 -41.04 11.49 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.138 0.975 . . . . 0.0 111.45 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.27 -56.49 21.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.542 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.15 -47.08 84.22 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.441 -176.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 1' ' ' SER . 10.5 pt-20 -67.85 -26.94 66.29 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -177.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.0 tp -77.17 -49.6 14.83 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -59.68 -47.22 86.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.467 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.82 87.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.864 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.54 -40.77 76.66 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -65.56 -45.16 84.39 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.974 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -62.83 -29.0 70.4 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -62.84 -42.77 99.87 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -41.3 89.99 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.2 -29.66 70.76 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.252 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.76 -30.28 62.69 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 120.865 0.364 . . . . 0.0 110.562 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -79.71 -27.98 40.61 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.324 0.583 . . . . 0.0 110.471 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.38 -33.7 76.57 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 80.79 -39.48 0.15 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.157 1.783 . . . . 0.0 113.298 176.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.44 86.13 5.16 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -81.48 -38.22 26.68 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.294 -175.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 61.8 71.16 0.55 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 113.964 -1.471 . . . . 0.0 107.849 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.94 39.64 1.63 Allowed Glycine 0 N--CA 1.438 -1.213 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.796 -176.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -105.09 176.06 1.89 Allowed Pre-proline 0 C--N 1.3 -1.554 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 176.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -50.98 -28.92 25.65 Favored 'Trans proline' 0 C--N 1.37 1.708 0 C-N-CA 122.775 2.317 . . . . 0.0 113.537 178.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.57 -24.82 4.32 Favored Glycine 0 N--CA 1.434 -1.438 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.536 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 24.6 t70 -111.66 -19.6 12.43 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 121.018 0.437 . . . . 0.0 111.716 -177.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.73 -24.44 65.37 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-O 121.467 0.651 . . . . 0.0 109.544 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.17 -45.54 72.1 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.78 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 9.1 pt20 -66.6 -35.25 79.74 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.644 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -67.94 -41.45 82.5 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.938 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -64.47 -47.93 77.16 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.566 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.7 -43.46 97.74 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.534 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.95 -39.74 83.37 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 120.929 0.395 . . . . 0.0 110.785 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -64.09 -42.08 97.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -64.91 -30.42 71.41 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.507 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.68 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 59.0 mt-10 -63.18 -59.28 4.97 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.69 93.97 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.931 -175.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -49.82 75.57 Favored 'General case' 0 C--N 1.316 -0.881 0 O-C-N 124.054 0.846 . . . . 0.0 109.068 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.9 ttt -68.23 -42.44 79.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.898 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.68 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 47.0 mtt180 -57.57 -53.6 56.33 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -65.45 -27.14 68.3 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.6 m -68.63 -38.55 80.62 Favored 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.787 174.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.7 pt -75.49 -37.44 37.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 C-N-CA 119.761 -0.776 . . . . 0.0 109.727 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 67.4 mt -58.35 -43.22 88.24 Favored 'General case' 0 C--O 1.206 -1.233 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.849 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.56 -21.07 66.14 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -89.08 -34.2 16.85 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.667 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.8 m -89.24 -31.56 5.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.1 mt -87.17 127.98 35.14 Favored 'General case' 0 CA--C 1.485 -1.528 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.482 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 15.1 t70 -76.89 175.65 9.29 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 174.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -48.33 -49.78 32.87 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 125.166 1.387 . . . . 0.0 113.971 -171.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.441 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 46.3 m -71.77 -42.2 67.44 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.273 -174.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.62 93.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.279 0.561 . . . . 0.0 110.23 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -62.92 -44.33 96.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.133 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.95 -36.91 83.28 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.828 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 58' ' ' ASN . 6.6 tpt180 -60.99 -51.56 68.75 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -176.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.405 ' HB3' HD21 ' A' ' 92' ' ' LEU . 2.2 pt? -69.85 -27.86 65.2 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 119.195 -1.002 . . . . 0.0 111.317 -177.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.8 m -60.18 -40.95 91.78 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.442 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 2.8 t-20 -61.01 -42.55 98.67 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.607 173.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.58 -35.92 66.31 Favored 'General case' 0 C--O 1.208 -1.103 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.07 -24.09 66.89 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.026 0.441 . . . . 0.0 112.151 -178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mp -99.46 -8.85 24.12 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -115.73 -43.42 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -143.33 81.84 12.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -65.92 -20.64 57.89 Favored 'Trans proline' 0 C--O 1.242 0.697 0 C-N-CA 123.043 2.495 . . . . 0.0 112.788 -173.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.5 -39.81 94.48 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HE3' ' HA ' ' A' ' 100' ' ' SER . 69.3 mmtt -73.65 -28.63 61.88 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.104 -176.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 5.3 m -57.06 -51.51 68.99 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -64.14 -33.66 76.28 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.678 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.72 -51.47 59.06 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.511 0.507 . . . . 0.0 110.428 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.57 -37.77 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.99 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.549 ' O ' HG13 ' A' ' 75' ' ' ILE . 54.9 mt-10 -56.23 -46.82 79.41 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -65.02 -46.25 82.12 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.315 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -59.41 -41.37 89.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.811 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.5 -38.24 86.82 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.749 176.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 71' ' ' GLU . 79.4 mt -58.5 -47.91 86.93 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 175.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -60.13 -43.51 95.61 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.923 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.3 tpt -58.94 -43.93 91.31 Favored 'General case' 0 C--O 1.249 1.049 0 C-N-CA 123.381 0.672 . . . . 0.0 109.556 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.21 78.08 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.053 176.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.487 ' CZ ' ' HA ' ' A' ' 79' ' ' ARG . 2.2 mmp_? -65.15 -35.97 82.78 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.683 0.793 . . . . 0.0 112.592 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -75.39 -11.84 60.13 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.052 0.453 . . . . 0.0 110.621 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.13 24.06 76.81 Favored Glycine 0 CA--C 1.497 -1.063 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.725 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -102.17 9.11 40.39 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.643 0.735 . . . . 0.0 109.919 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.99 101.39 5.22 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 177.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.0 m -89.59 -41.4 12.01 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-O 120.874 0.369 . . . . 0.0 110.456 -175.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -154.02 -177.24 6.28 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 -175.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 32.4 mmtp -53.12 137.42 33.73 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 123.841 0.713 . . . . 0.0 112.518 178.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -83.0 117.5 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.347 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 173.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 m -76.18 171.79 13.91 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.784 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 1.4 tt0 -65.54 -38.15 88.79 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -175.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -68.31 -24.62 64.86 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.305 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.39 -39.88 61.02 Favored Glycine 0 N--CA 1.44 -1.07 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' A' ' 56' ' ' LEU . 44.1 tp -66.43 -38.68 87.96 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.95 -36.77 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.884 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -61.44 -44.83 96.43 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.412 ' HA ' ' HE2' ' A' ' 98' ' ' LYS . 86.3 mt -64.7 -48.41 84.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.826 176.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.61 ' HA ' HG22 ' A' ' 99' ' ' VAL . 26.7 tp -58.63 -39.27 80.03 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 124.659 1.184 . . . . 0.0 112.839 -175.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.01 -42.84 99.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.896 0.379 . . . . 0.0 111.751 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' ' 95' ' ' ILE . 41.2 mtmt -71.45 -46.49 59.83 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.742 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.61 HG22 ' HA ' ' A' ' 96' ' ' LEU . 26.7 m -62.7 -23.83 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.955 177.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.498 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 8.7 t -64.72 -23.17 67.16 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 121.295 0.569 . . . . 0.0 109.991 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -101.06 -66.35 0.92 Allowed 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 175.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -125.93 -93.27 0.49 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.079 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.523 ' HA ' HG12 ' A' ' 99' ' ' VAL . 65.2 m -163.13 -71.78 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.051 -1.462 . . . . 0.0 107.051 177.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 155.29 115.29 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 127.496 2.318 . . . . 0.0 108.805 173.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -126.81 91.86 3.43 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 169.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.1 p -89.03 -33.67 17.08 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 114.629 -1.168 . . . . 0.0 112.227 -176.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.5 m -69.95 -34.76 73.85 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.4 m -83.9 103.4 13.13 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 115.398 -0.819 . . . . 0.0 108.825 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.35 -1.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 CA-C-O 121.299 0.571 . . . . 0.0 110.73 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -75.35 89.5 2.61 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.318 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -95.16 -30.07 14.22 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 176.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 40.3 t30 . . . . . 0 C--N 1.314 -0.975 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.425 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.3 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.444 ' HB3' ' HB2' ' A' ' 4' ' ' GLU . 43.5 m -88.13 35.37 0.75 Allowed 'General case' 0 C--N 1.306 -1.306 0 C-N-CA 123.416 0.687 . . . . 0.0 111.806 -176.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.78 89.73 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.169 0.509 . . . . 0.0 112.21 -176.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -78.74 -42.12 29.01 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.351 0.596 . . . . 0.0 109.673 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 1' ' ' SER . 14.2 mp0 -55.87 -51.61 66.96 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 125.556 1.542 . . . . 0.0 111.693 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.94 -37.55 85.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.054 0.454 . . . . 0.0 110.999 -177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.4 tp -73.39 -40.91 63.96 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.981 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.32 -44.35 88.11 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.979 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.28 85.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.299 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.15 -52.83 63.9 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.24 176.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -60.25 -51.33 70.0 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.774 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -60.75 -41.16 94.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.613 -0.722 . . . . 0.0 112.035 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 30.4 tt0 -67.28 -44.11 80.11 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 120.523 -0.471 . . . . 0.0 109.913 177.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 tpt85 -65.69 -29.34 69.87 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.888 -178.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.84 -42.17 99.63 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 123.316 0.646 . . . . 0.0 109.794 176.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.35 -36.12 76.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.29 0.567 . . . . 0.0 109.731 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 13.4 mm-40 -69.58 -28.56 66.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.093 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.456 HD11 ' HB1' ' A' ' 28' ' ' ALA . 4.2 tt -75.19 -34.29 61.5 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 71.86 14.41 5.93 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.018 -1.446 . . . . 0.0 111.494 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.425 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -138.83 131.43 28.94 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 175.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -72.04 97.57 1.92 Allowed 'General case' 0 CA--C 1.498 -1.033 0 CA-C-O 121.965 0.888 . . . . 0.0 111.877 -177.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -136.25 83.74 2.03 Favored 'General case' 0 N--CA 1.407 -2.601 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.61 -32.21 53.48 Favored Glycine 0 C--N 1.315 -0.628 0 CA-C-N 114.647 -1.161 . . . . 0.0 114.283 -179.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.59 113.14 11.53 Favored Pre-proline 0 N--CA 1.471 0.583 0 CA-C-N 117.027 0.413 . . . . 0.0 111.312 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -93.43 14.25 1.55 Allowed 'Trans proline' 0 N--CA 1.445 -1.368 0 C-N-CA 122.501 2.134 . . . . 0.0 111.949 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.21 47.82 3.72 Favored Glycine 0 N--CA 1.439 -1.111 0 CA-C-N 116.362 -0.381 . . . . 0.0 112.516 -175.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.5 t70 72.54 -31.59 0.23 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 124.884 1.273 . . . . 0.0 114.292 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.21 -23.23 13.79 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.529 1.132 . . . . 0.0 112.274 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.456 ' HB1' HD11 ' A' ' 17' ' ' LEU . . . -53.42 -39.99 64.78 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.439 176.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -78.17 -25.28 47.12 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.969 0.414 . . . . 0.0 111.073 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -66.28 -38.61 88.19 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -68.93 -30.89 69.45 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.11 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.514 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -64.9 -42.14 94.99 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -69.88 -37.03 75.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.233 0.54 . . . . 0.0 109.97 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -57.29 -44.86 84.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.904 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -71.14 -28.01 63.97 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.969 -0.692 . . . . 0.0 111.169 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 40.2 mt-10 -64.95 -46.87 79.74 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.8 -43.09 97.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.34 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.86 -41.63 67.69 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 123.939 0.895 . . . . 0.0 111.803 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 55.2 ttp -58.51 -46.18 87.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.058 0.456 . . . . 0.0 111.368 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -74.85 -39.23 61.69 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.261 0.553 . . . . 0.0 109.529 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -63.11 -32.17 73.49 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.317 -175.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.2 m -54.47 -42.74 71.02 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -173.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 75' ' ' ILE . 29.9 pt -76.27 -38.59 33.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 C-N-CA 119.417 -0.913 . . . . 0.0 111.671 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.94 -44.41 85.15 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 121.02 0.438 . . . . 0.0 110.654 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.91 -29.06 70.49 Favored 'General case' 0 C--N 1.307 -1.256 0 C-N-CA 123.933 0.893 . . . . 0.0 112.851 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -89.75 -26.54 20.57 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.587 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.7 m -88.97 -27.64 5.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.309 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.9 mt -100.72 124.26 46.08 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.504 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 32.5 t70 -65.31 160.5 21.58 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 171.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -48.22 -37.08 15.09 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 124.249 1.02 . . . . 0.0 111.247 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.7 p -67.22 -51.02 58.35 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.727 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.4 -35.26 78.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.722 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.496 ' NH1' HD23 ' A' ' 56' ' ' LEU . 17.5 tpt85 -62.26 -44.91 95.46 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.29 90.52 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.279 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -59.34 -35.59 74.14 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 123.552 0.741 . . . . 0.0 111.304 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.534 HD12 HD11 ' A' ' 59' ' ' LEU . 50.7 tp -63.2 -41.24 99.13 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.914 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -65.34 -35.82 82.14 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -60.45 -49.17 78.62 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.945 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.534 HD11 HD12 ' A' ' 56' ' ' LEU . 4.4 pp -71.93 -37.12 70.09 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.411 0.444 . . . . 0.0 111.981 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.624 ' HA ' ' OG1' ' A' ' 67' ' ' THR . . . -54.81 -28.12 47.04 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 124.158 0.983 . . . . 0.0 112.953 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.12 -13.46 30.69 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -115.42 -26.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.318 -0.553 . . . . 0.0 112.414 -177.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -144.56 73.71 15.42 Favored Pre-proline 0 C--N 1.308 -1.224 0 CA-C-O 121.85 0.833 . . . . 0.0 110.274 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -69.99 -23.51 29.64 Favored 'Trans proline' 0 C--O 1.244 0.82 0 C-N-CA 123.373 2.715 . . . . 0.0 113.882 -172.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -74.03 -34.72 64.21 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -78.34 -28.83 47.35 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.576 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.624 ' OG1' ' HA ' ' A' ' 60' ' ' ALA . 10.6 m -60.46 -43.81 96.53 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -57.33 -41.79 80.66 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.268 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.82 -46.58 71.46 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 123.863 0.727 . . . . 0.0 111.354 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.97 -43.33 89.26 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.091 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.768 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.508 ' O ' HG13 ' A' ' 75' ' ' ILE . 54.6 mt-10 -59.15 -48.12 82.77 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.556 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 26.8 t-20 -58.18 -43.59 87.6 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.733 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.406 ' HA ' HE21 ' A' ' 76' ' ' GLN . 50.0 t80 -62.49 -40.25 96.11 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.51 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.87 -41.82 91.13 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.825 175.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 71' ' ' GLU . 76.1 mt -55.63 -46.13 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 121.41 0.624 . . . . 0.0 110.517 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 21.2 pt20 -75.52 -44.63 42.62 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.9 ttp -67.43 -36.3 80.95 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.79 -31.56 72.85 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -19.05 64.41 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.893 0.877 . . . . 0.0 111.287 -177.28 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -84.36 -3.81 58.51 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.929 -0.482 . . . . 0.0 111.264 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.76 3.68 89.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.609 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -78.88 -9.56 59.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.334 0.588 . . . . 0.0 110.85 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.38 102.19 10.1 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.983 0.896 . . . . 0.0 111.263 174.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.1 m -133.37 15.55 4.1 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 171.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -130.62 162.89 28.35 Favored 'General case' 0 N--CA 1.423 -1.783 0 CA-C-N 113.279 -1.782 . . . . 0.0 108.09 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.504 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 48.0 mmtm -86.79 142.32 28.2 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 p -89.99 150.43 3.73 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 176.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 m -87.36 163.58 16.71 Favored 'General case' 0 C--N 1.289 -2.027 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -58.63 -45.44 89.25 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 120.951 0.405 . . . . 0.0 110.183 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -68.93 -18.65 64.13 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.34 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -78.77 -39.05 22.14 Favored Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 176.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.5 tp -70.07 -40.09 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.561 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 89.6 mt -63.08 -34.03 64.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.567 177.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.95 -35.92 81.75 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.401 ' O ' HG13 ' A' ' 99' ' ' VAL . 78.6 mt -70.21 -45.63 75.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.371 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 36.6 tp -57.21 -31.47 65.52 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.426 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 88.7 mttt -65.3 -53.94 36.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.643 177.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -68.65 -35.14 76.87 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -176.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.526 ' HA ' ' HA ' ' A' ' 103' ' ' THR . 19.0 m -62.07 -14.0 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.4 ' HB2' ' OE1' ' A' ' 101' ' ' GLN . 13.8 m -60.5 -49.48 77.4 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.4 ' OE1' ' HB2' ' A' ' 100' ' ' SER . 22.5 mp0 -105.73 -74.86 0.64 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 121.265 0.555 . . . . 0.0 110.39 178.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -110.78 102.01 10.58 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.621 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 99' ' ' VAL . 3.4 m -42.68 -49.59 5.57 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.215 1.406 . . . . 0.0 109.646 175.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -176.28 123.82 0.18 Allowed 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.578 169.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.7 mmmp? -144.04 -8.93 0.69 Allowed 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.812 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -131.02 167.79 18.46 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.962 0.887 . . . . 0.0 111.446 -171.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.7 m -146.54 89.83 1.88 Allowed 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 174.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.6 m -57.73 118.0 4.83 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.074 -176.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.4 t -72.85 -32.26 39.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.459 ' HE2' ' OXT' ' A' ' 112' ' ' ASN . 14.1 mmmm 73.31 131.94 0.04 OUTLIER 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.152 1.381 . . . . 0.0 111.52 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -91.41 -17.65 25.47 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 172.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.459 ' OXT' ' HE2' ' A' ' 110' ' ' LYS . 23.1 t30 . . . . . 0 N--CA 1.419 -1.991 0 CA-C-N 113.199 -1.819 . . . . 0.0 106.16 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.915 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.1 m -113.32 78.99 1.18 Allowed 'General case' 0 N--CA 1.428 -1.568 0 CA-C-O 121.529 0.681 . . . . 0.0 109.497 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.04 92.67 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.951 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -67.77 -32.34 72.86 Favored 'General case' 0 C--O 1.201 -1.463 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.775 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.92 -47.29 75.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.514 0.673 . . . . 0.0 109.411 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -68.22 -36.59 79.75 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.313 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.54 -32.21 69.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.266 0.555 . . . . 0.0 110.133 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -70.89 -38.21 73.02 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.65 70.99 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.229 0.537 . . . . 0.0 110.172 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.68 -41.19 92.71 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.176 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -69.87 -35.79 74.96 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.879 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -65.63 -31.32 72.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.289 175.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 25.7 tt0 -65.2 -44.62 87.78 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 173.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -64.33 -30.07 71.13 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.075 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt -72.05 -38.89 69.41 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 176.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.44 -25.54 65.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.141 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 57.5 mm-40 -62.42 -41.31 98.6 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 173.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 17' ' ' LEU . 3.5 tm? -74.96 -22.68 58.41 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.238 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 75.05 9.63 3.89 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.882 1.273 . . . . 0.0 111.934 171.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 55.21 32.67 18.98 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.773 0.829 . . . . 0.0 110.901 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -74.23 124.39 26.3 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -174.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . 0.264 14.7 p-80 -152.67 65.49 0.8 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 123.065 1.412 . . . . 0.0 109.101 168.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.99 41.56 0.05 OUTLIER Glycine 0 C--N 1.291 -1.921 0 N-CA-C 106.006 -2.838 . . . . 0.0 106.006 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -135.33 162.16 59.06 Favored Pre-proline 0 C--N 1.292 -1.912 0 CA-C-N 112.292 -1.954 . . . . 0.0 108.217 -169.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -68.44 -47.98 1.32 Allowed 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 121.847 1.698 . . . . 0.0 111.537 173.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' O ' ' HG3' ' A' ' 29' ' ' GLN . . . 113.82 153.08 10.93 Favored Glycine 0 N--CA 1.427 -1.961 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.29 -41.25 83.97 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.089 0.471 . . . . 0.0 111.362 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.95 83.71 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.85 -27.57 62.0 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 77.0 mt-30 -66.22 -31.36 72.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.943 0.401 . . . . 0.0 110.171 174.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -70.43 -30.0 66.74 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 34' ' ' HIS . 42.9 mt-10 -72.17 -38.31 69.14 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -65.26 -35.89 82.42 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.977 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 24.5 tptm -64.89 -39.52 93.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.371 0.605 . . . . 0.0 109.415 174.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.433 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 55.7 t-80 -62.43 -43.38 98.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 175.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HA ' ' OE2' ' A' ' 38' ' ' GLU . 1.3 tpm_? -62.66 -32.36 73.41 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.784 -179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 10.9 mm-40 -57.97 -48.58 79.54 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.714 0.406 . . . . 0.0 110.243 177.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.38 90.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.2 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' OE2' ' HA ' ' A' ' 35' ' ' ARG . 40.1 mt-10 -62.21 -46.94 86.65 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.749 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 89.8 mtp -64.24 -38.73 92.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.657 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.401 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -66.34 -53.16 39.54 Favored 'General case' 0 C--O 1.218 -0.589 0 C-N-CA 120.666 -0.414 . . . . 0.0 109.904 173.798 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -56.79 -42.09 78.85 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 123.236 0.614 . . . . 0.0 112.396 -175.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.4 m -60.33 -47.79 84.52 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 123.6 0.562 . . . . 0.0 112.002 179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.2 pt -76.12 -38.73 35.12 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.089 0 C-N-CA 119.443 -0.903 . . . . 0.0 111.395 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 96.3 mt -63.25 -27.43 69.34 Favored 'General case' 0 C--O 1.203 -1.391 0 C-N-CA 122.531 0.332 . . . . 0.0 111.676 -179.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.88 -29.55 67.87 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 120.898 0.38 . . . . 0.0 110.959 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 15.1 mm100 -96.56 -24.7 15.92 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.475 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 78' ' ' ALA . 93.5 t -89.54 -42.68 14.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.301 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -101.56 129.55 47.68 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.14 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -59.95 157.07 13.28 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.978 174.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -50.13 -35.77 27.18 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 124.402 1.081 . . . . 0.0 112.18 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.7 m -73.76 -37.3 65.08 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.454 0.645 . . . . 0.0 109.848 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.33 70.41 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.744 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -59.61 -37.87 79.74 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.019 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.11 92.65 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.522 0.677 . . . . 0.0 110.283 178.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -64.93 -47.63 77.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.692 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.28 -43.03 82.75 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.298 0.639 . . . . 0.0 110.605 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.5 m -63.28 -41.03 98.96 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.769 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -64.68 -42.97 94.98 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.568 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.31 -35.09 73.17 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.927 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.9 -21.8 63.7 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 123.621 0.768 . . . . 0.0 112.795 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.1 mp -91.86 -28.12 17.51 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -94.1 -52.76 9.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -175.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -136.56 81.5 35.69 Favored Pre-proline 0 C--O 1.247 0.923 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.96 -27.75 85.61 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.36 2.707 . . . . 0.0 112.654 -175.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -62.97 -39.33 94.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.022 0.439 . . . . 0.0 110.597 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -78.47 -29.6 46.93 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.186 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.4 m -63.23 -45.96 89.14 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -57.87 -47.18 83.48 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.805 0.842 . . . . 0.0 109.203 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.62 88.87 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.944 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.2 -41.53 75.23 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 CA-C-O 118.948 -0.549 . . . . 0.0 111.815 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.56 ' O ' HG13 ' A' ' 75' ' ' ILE . 47.0 mt-10 -53.32 -51.47 62.26 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.072 0.463 . . . . 0.0 109.835 176.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -58.95 -36.04 74.13 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.033 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -69.37 -44.07 72.3 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.34 -37.18 86.29 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.096 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 71' ' ' GLU . 68.7 mt -56.05 -46.28 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 CA-C-O 121.854 0.835 . . . . 0.0 108.792 174.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.25 -41.82 96.8 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.46 -1.246 . . . . 0.0 110.244 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.0 ttt -68.65 -39.2 80.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.216 0.532 . . . . 0.0 110.653 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.406 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -61.03 -31.47 71.11 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 123.807 0.843 . . . . 0.0 111.092 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -60.35 -23.6 64.39 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.209 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -77.91 -19.32 54.9 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.31 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.97 39.92 97.76 Favored Glycine 0 C--O 1.22 -0.778 0 C-N-CA 121.323 -0.465 . . . . 0.0 112.148 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -100.82 -1.94 33.5 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.727 0.299 . . . . 0.0 111.515 -177.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.71 90.05 7.63 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-O 122.049 0.928 . . . . 0.0 111.278 -175.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 51.0 m -93.0 -17.31 24.05 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 113.719 -1.582 . . . . 0.0 107.702 174.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -136.59 158.66 43.92 Favored 'General case' 0 N--CA 1.421 -1.901 0 N-CA-C 105.069 -2.197 . . . . 0.0 105.069 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 96.9 mttt -83.27 153.68 24.54 Favored 'General case' 0 C--N 1.272 -2.791 0 O-C-N 123.619 0.574 . . . . 0.0 109.805 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.87 132.02 33.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.2 m -86.19 179.57 6.91 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.674 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -55.01 -48.1 73.82 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.767 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -55.44 -48.78 73.92 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 124.358 1.036 . . . . 0.0 110.771 -176.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.91 -42.63 96.82 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.422 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.6 tp -63.69 -43.6 96.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 110.214 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.83 -34.46 70.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.599 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.65 -38.61 89.84 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.5 175.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.5 mt -66.73 -37.28 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.09 -48.44 80.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.752 176.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.04 -43.67 91.69 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.153 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.94 -49.24 78.48 Favored 'General case' 0 N--CA 1.432 -1.33 0 C-N-CA 123.213 0.605 . . . . 0.0 111.669 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.89 -18.86 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.4 t -84.0 -50.44 8.0 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -76.18 -57.97 3.56 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -91.02 -37.01 13.72 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.042 0.449 . . . . 0.0 110.032 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.6 m 65.8 75.84 0.33 Allowed 'General case' 0 N--CA 1.423 -1.786 0 CA-C-N 114.387 -1.278 . . . . 0.0 109.192 -175.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.409 ' O ' ' HD2' ' A' ' 105' ' ' LYS . 37.0 tt0 -96.79 98.65 10.31 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.832 -177.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.409 ' HD2' ' O ' ' A' ' 104' ' ' GLU . 30.3 mmmt -136.54 124.79 23.17 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 177.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.5 m -89.24 73.04 8.12 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 122.319 1.057 . . . . 0.0 111.013 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 53.9 m -155.17 96.53 1.83 Allowed 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 114.041 -1.436 . . . . 0.0 107.294 175.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.9 m -89.78 100.44 13.25 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.0 t 73.71 -70.32 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 125.336 1.454 . . . . 0.0 110.143 -176.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -144.62 147.46 33.14 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -71.29 -72.41 0.22 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 58.8 t30 . . . . . 0 C--N 1.294 -1.808 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 176.634 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.829 0 N-CA-C 112.344 -0.303 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' ' 4' ' ' GLU . 23.0 t -118.87 146.44 44.89 Favored 'General case' 0 N--CA 1.429 -1.523 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.95 -64.57 0.77 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -172.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -68.79 -25.99 64.98 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.474 0.654 . . . . 0.0 111.106 -177.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 1' ' ' SER . 2.3 tm-20 -69.17 -47.72 64.17 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.353 179.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.79 -32.61 69.77 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.914 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.86 -39.97 96.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.836 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -59.92 -47.13 87.03 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.13 88.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.885 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.62 -34.06 60.54 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -68.41 -31.11 70.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.274 0.559 . . . . 0.0 109.788 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 97.0 mtt180 -62.1 -37.93 86.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.81 174.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -67.28 -39.52 86.05 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -60.93 -39.37 89.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.126 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 18' ' ' GLN . 6.4 tt -57.38 -46.81 83.02 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 123.849 0.86 . . . . 0.0 110.35 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.86 -54.22 5.79 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -76.17 -48.66 19.71 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -169.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -80.41 -23.52 40.32 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER 69.8 74.53 0.23 Allowed 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 125.695 1.598 . . . . 0.0 106.792 -174.318 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' A' ' 14' ' ' LEU . . . -93.93 80.04 4.14 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-N 114.217 -1.356 . . . . 0.0 108.754 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -55.3 130.26 41.67 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 113.729 -1.578 . . . . 0.0 110.291 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -73.79 73.98 1.58 Allowed 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.538 0.685 . . . . 0.0 111.332 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.99 80.61 0.29 Allowed Glycine 0 N--CA 1.418 -2.516 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.41 151.57 87.56 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 177.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -65.19 35.76 0.11 Allowed 'Trans proline' 0 N--CA 1.502 2.009 0 C-N-CA 124.452 3.435 . . . . 0.0 116.457 -173.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.57 111.52 3.72 Favored Glycine 0 N--CA 1.429 -1.796 0 CA-C-O 120.003 -0.332 . . . . 0.0 112.549 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 t70 35.46 -80.34 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 127.42 2.288 . . . . 0.0 117.029 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.06 -26.13 66.58 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 123.146 0.579 . . . . 0.0 111.474 -174.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.77 -28.36 69.52 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.838 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -67.5 -41.13 85.0 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.316 0.579 . . . . 0.0 109.812 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -77.1 -33.93 56.87 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.82 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -62.34 -36.23 81.55 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.169 174.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.85 -49.01 79.21 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -63.63 -36.05 82.56 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.223 0.535 . . . . 0.0 110.585 178.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -60.79 -34.93 75.25 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 123.904 0.882 . . . . 0.0 109.499 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -81.23 -33.35 32.9 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.879 0.371 . . . . 0.0 110.183 176.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -62.97 -34.21 77.04 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.36 -36.19 73.09 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.331 0.586 . . . . 0.0 110.368 177.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -79.89 -49.98 11.14 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.375 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 61.1 mtt -83.96 -45.45 13.14 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -171.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.491 ' HD2' HG23 ' A' ' 75' ' ' ILE . 6.6 tpp180 -74.17 -31.01 62.52 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 122.135 -0.353 . . . . 0.0 110.915 -171.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -59.82 -36.79 77.51 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.552 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 16.4 m -56.35 -50.1 72.47 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.332 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.2 pt -68.94 -37.01 76.74 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.789 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.49 -36.16 79.7 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.051 0.453 . . . . 0.0 110.355 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.11 -18.49 61.29 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.323 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 42' ' ' SER . 25.6 mm-40 -86.16 -37.02 19.15 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 120.918 0.389 . . . . 0.0 110.261 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.625 ' HA ' HD13 ' A' ' 83' ' ' LEU . 5.2 p -83.64 -32.94 9.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.806 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.0 mt -104.35 126.01 51.08 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.791 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -61.02 160.37 10.02 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.138 175.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -47.95 -38.96 17.89 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 124.541 1.137 . . . . 0.0 111.126 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.6 m -72.48 -36.08 68.34 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.292 0.568 . . . . 0.0 110.201 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.65 -36.37 65.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.987 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -62.3 -39.11 91.91 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.952 0.406 . . . . 0.0 110.106 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.88 -35.32 79.76 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.982 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 12.5 tpt180 -67.75 -36.73 81.07 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.997 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.37 -49.56 74.1 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.84 0.456 . . . . 0.0 111.274 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.8 t -64.02 -38.19 90.16 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.484 0.49 . . . . 0.0 109.855 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -58.01 -50.69 72.55 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.827 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.11 -37.07 84.82 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.439 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -62.86 -23.75 67.46 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 122.775 0.43 . . . . 0.0 112.127 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.78 -9.06 29.62 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 120.894 0.378 . . . . 0.0 111.323 -177.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.7 p -115.46 -44.6 3.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 C-N-CA 120.275 -0.57 . . . . 0.0 112.242 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -143.64 81.34 12.18 Favored Pre-proline 0 C--O 1.24 0.567 0 C-N-CA 122.3 0.24 . . . . 0.0 110.36 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.68 -23.76 76.89 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.822 2.348 . . . . 0.0 113.305 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -62.35 -38.82 90.99 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.731 0.3 . . . . 0.0 111.0 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.403 ' NZ ' ' HA ' ' A' ' 100' ' ' SER . 25.9 mmmt -79.34 -31.78 43.12 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.258 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 60' ' ' ALA . 3.8 m -62.35 -49.47 75.46 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.914 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -61.79 -32.81 73.12 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.854 0.359 . . . . 0.0 110.717 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.24 76.37 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.134 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.01 -41.42 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.961 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.449 ' O ' HG13 ' A' ' 75' ' ' ILE . 48.8 mt-10 -58.44 -43.65 88.85 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.382 0.134 . . . . 0.0 110.702 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -54.81 -40.43 69.52 Favored 'General case' 0 C--O 1.239 0.553 0 C-N-CA 123.698 0.799 . . . . 0.0 110.473 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -74.08 -51.99 14.04 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.933 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.32 -37.09 76.89 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.491 HG23 ' HD2' ' A' ' 40' ' ' ARG . 68.2 mt -53.6 -50.48 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 123.166 0.291 . . . . 0.0 110.544 176.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -72.87 -41.3 64.85 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.677 -178.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.481 ' HG3' ' HB2' ' A' ' 82' ' ' GLN . 25.9 ttt -59.64 -41.81 91.36 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 122.987 0.515 . . . . 0.0 111.18 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.537 ' HA ' ' CD2' ' A' ' 83' ' ' LEU . . . -72.48 -38.53 68.15 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.521 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -62.29 -40.1 95.16 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.288 -179.262 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -94.61 -1.71 52.75 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 113.631 0.975 . . . . 0.0 113.631 -176.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.58 35.29 55.74 Favored Glycine 0 C--O 1.224 -0.476 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.913 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.481 ' HB2' ' HG3' ' A' ' 77' ' ' MET . 46.5 mt-30 -84.24 -3.27 58.09 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.522 0.677 . . . . 0.0 110.96 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.625 HD13 ' HA ' ' A' ' 47' ' ' VAL . 1.2 pt? -95.37 149.75 21.02 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.174 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -102.55 -34.02 9.27 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-O 121.424 0.631 . . . . 0.0 110.351 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.48 -173.18 4.37 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -177.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 57.1 mtmt -74.2 117.92 16.56 Favored 'General case' 0 C--N 1.282 -2.331 0 O-C-N 123.967 0.792 . . . . 0.0 109.33 177.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.3 t -77.68 132.02 33.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.3 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.1 m -90.54 -170.82 2.85 Favored 'General case' 0 C--O 1.25 1.126 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.497 ' O ' HG13 ' A' ' 93' ' ' ILE . 51.3 mt-10 -58.45 -47.37 84.22 Favored 'General case' 0 C--O 1.199 -1.571 0 C-N-CA 122.75 0.42 . . . . 0.0 112.095 -175.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -61.02 -35.27 76.42 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-O 121.002 0.43 . . . . 0.0 111.597 -176.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.495 ' O ' HG12 ' A' ' 95' ' ' ILE . . . -69.97 -42.43 68.78 Favored Glycine 0 N--CA 1.434 -1.444 0 N-CA-C 110.251 -1.139 . . . . 0.0 110.251 176.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.5 tp -66.73 -38.24 86.27 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 122.509 0.324 . . . . 0.0 111.329 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.528 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 80.2 mt -59.54 -36.61 65.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.71 -35.22 74.87 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.225 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 91' ' ' GLY . 28.7 mm -63.35 -42.28 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 174.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.429 ' HA ' HG22 ' A' ' 99' ' ' VAL . 18.2 tp -62.29 -34.31 76.34 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.869 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 93' ' ' ILE . 32.4 mmmt -63.35 -48.49 77.75 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 176.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 104' ' ' GLU . 58.4 mtpt -59.03 -46.94 86.95 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.749 -178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 103' ' ' THR . 19.8 m -73.36 -22.69 19.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.915 0.388 . . . . 0.0 112.033 -178.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 66' ' ' LYS . 66.5 m -76.73 -18.45 58.48 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 122.054 -0.404 . . . . 0.0 111.578 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -76.65 -78.03 0.13 Allowed 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.115 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -130.3 -59.05 1.05 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 120.961 0.41 . . . . 0.0 110.047 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 53.8 m -148.64 -60.59 0.24 Allowed 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 176.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' HA ' ' HB3' ' A' ' 98' ' ' LYS . 2.2 pp20? -179.03 -22.35 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.932 1.293 . . . . 0.0 109.815 176.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -129.73 -174.57 3.34 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 171.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.2 t -107.02 82.76 1.73 Allowed 'General case' 0 N--CA 1.418 -2.044 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.796 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.7 m -84.25 -45.37 12.95 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.2 m -91.72 117.04 29.39 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 176.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.9 m -90.67 -40.33 12.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 C-N-CA 118.869 -1.133 . . . . 0.0 110.229 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -90.06 80.08 6.4 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 174.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -64.13 -50.33 68.67 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.645 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 46.9 t30 . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.765 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.928 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.3 m 66.18 4.59 3.2 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.039 1.336 . . . . 0.0 114.256 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.29 -34.63 48.73 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.48 -34.2 60.87 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.14 -34.97 75.85 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.487 175.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -61.61 -44.04 97.74 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.787 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.0 tp -66.49 -42.61 87.18 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 123.496 0.498 . . . . 0.0 109.765 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 14.2 tp10 -57.47 -55.59 32.86 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.838 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.03 99.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.273 -177.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.474 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 6.7 tt -61.01 -52.59 64.36 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 123.677 0.611 . . . . 0.0 109.678 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.89 -43.48 95.89 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.283 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 79.1 mtp180 -64.54 -44.97 89.13 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.421 0.153 . . . . 0.0 111.281 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.603 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 35.7 tt0 -63.24 -51.96 64.09 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' HD2' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -57.2 -38.19 73.31 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.456 0.473 . . . . 0.0 111.647 178.291 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.39 -44.52 82.84 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -44.6 84.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.913 -176.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 42.9 mt-10 -61.93 -46.36 89.66 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.704 0.764 . . . . 0.0 111.523 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 17' ' ' LEU . 2.7 tm? -77.04 -26.42 53.64 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.359 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 63.31 46.75 4.31 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -173.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.7 114.33 6.23 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 113.838 -1.528 . . . . 0.0 111.911 -175.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -108.28 139.19 43.35 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -138.94 27.08 2.42 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 122.192 0.996 . . . . 0.0 108.852 175.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.73 57.96 4.91 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 174.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 5.1 p-10 -145.84 144.4 22.08 Favored Pre-proline 0 N--CA 1.423 -1.816 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -175.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 23' ' ' ASP . 3.9 Cg_exo -87.47 23.61 0.79 Allowed 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 122.489 2.126 . . . . 0.0 112.353 177.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.83 -94.76 0.69 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.65 -0.31 . . . . 0.0 112.674 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -49.81 -46.48 51.09 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.284 1.033 . . . . 0.0 111.847 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' A' ' 31' ' ' GLU . . . -59.08 -34.43 71.97 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.765 -178.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 23' ' ' ASP . . . -69.92 -34.32 73.33 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.112 0.482 . . . . 0.0 110.658 -177.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -68.53 -38.13 80.6 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.446 -0.797 . . . . 0.0 108.865 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 30' ' ' GLN . 14.7 mm-40 -73.09 -31.59 64.44 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.085 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 27' ' ' ALA . 46.1 mt-10 -62.41 -40.64 97.18 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 174.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.6 -49.49 76.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.112 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -60.31 -42.65 96.01 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.994 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -61.74 -41.14 97.26 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -68.11 -35.67 78.52 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.323 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.57 -34.94 79.42 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.151 0.5 . . . . 0.0 110.562 177.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.05 -58.12 3.87 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.109 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.62 -50.73 72.36 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.7 ttt -71.47 -40.76 70.07 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -170.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -72.93 -38.35 66.87 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.712 -178.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -71.55 -47.05 57.53 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.699 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 29.8 p -56.51 -50.44 71.82 Favored 'General case' 0 C--O 1.209 -1.063 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -176.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.4 pt -59.0 -37.99 71.13 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.967 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.747 -178.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.5 mt -75.48 -34.26 60.87 Favored 'General case' 0 C--O 1.206 -1.195 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.163 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.9 -26.76 40.11 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -177.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 42' ' ' SER . 92.9 mt-30 -83.03 -26.96 30.68 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.098 0.475 . . . . 0.0 109.919 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.524 HG13 ' HG ' ' A' ' 83' ' ' LEU . 43.2 t -92.12 -45.69 14.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.03 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.479 HD23 ' HB ' ' A' ' 87' ' ' VAL . 92.6 mt -89.8 129.55 36.18 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -61.93 162.7 8.68 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -53.52 -36.45 61.78 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 123.608 0.763 . . . . 0.0 110.03 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 m -68.02 -40.77 82.86 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.613 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.28 -35.72 68.8 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.24 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -61.77 -40.37 94.95 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.763 0.316 . . . . 0.0 110.194 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.97 -47.22 69.18 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.661 177.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -57.12 -44.42 83.29 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 122.775 0.43 . . . . 0.0 110.731 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.46 HD21 ' HG2' ' A' ' 71' ' ' GLU . 57.7 tp -62.3 -42.37 99.3 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.2 m -63.02 -38.76 92.48 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.566 0.698 . . . . 0.0 110.85 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -72.35 -32.04 66.13 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.573 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -68.82 -36.48 78.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.457 ' HA ' ' OG1' ' A' ' 67' ' ' THR . . . -58.51 -25.5 62.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.838 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.7 mt -81.75 -38.72 25.25 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.685 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -75.14 -38.74 42.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.625 -0.43 . . . . 0.0 112.096 -177.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -169.67 104.68 0.46 Allowed Pre-proline 0 C--O 1.243 0.717 0 C-N-CA 122.812 0.445 . . . . 0.0 111.227 173.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.471 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 49.1 Cg_endo -68.85 -10.16 28.34 Favored 'Trans proline' 0 CA--C 1.534 0.496 0 C-N-CA 123.041 2.494 . . . . 0.0 113.436 -175.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.05 -41.1 87.07 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.187 0.517 . . . . 0.0 110.097 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -78.8 -29.22 44.76 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.532 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.471 ' OG1' ' HA ' ' A' ' 64' ' ' PRO . 6.6 m -59.74 -50.9 72.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.187 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -64.6 -30.73 71.76 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.766 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.83 79.54 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.411 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.0 m -71.89 -42.42 69.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.874 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.46 ' HG2' HD21 ' A' ' 56' ' ' LEU . 47.3 mt-10 -56.27 -52.27 65.11 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.664 0.269 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -61.47 -36.17 79.69 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.188 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.01 -48.11 77.62 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.728 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.31 -37.78 88.6 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.609 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 71' ' ' GLU . 78.1 mt -55.79 -49.37 75.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 O-C-N 123.372 0.42 . . . . 0.0 110.018 175.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.29 -50.06 71.6 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.493 ' SD ' ' HG3' ' A' ' 82' ' ' GLN . 21.8 mmt -63.51 -32.04 73.38 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -177.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.95 -38.27 85.81 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -65.97 -37.62 86.45 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.026 177.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -78.82 -15.22 58.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.683 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.61 41.35 51.16 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.376 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.493 ' HG3' ' SD ' ' A' ' 77' ' ' MET . 15.4 mm-40 -95.49 2.33 54.35 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.612 0.72 . . . . 0.0 110.481 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.524 ' HG ' HG13 ' A' ' 47' ' ' VAL . 3.7 mm? -111.99 101.71 9.99 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.78 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -84.77 -38.77 19.22 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -114.49 173.32 6.52 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.73 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -70.79 155.23 41.04 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.453 174.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.479 ' HB ' HD23 ' A' ' 48' ' ' LEU . 59.8 t -97.98 114.16 34.57 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.62 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 173.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.539 ' HB2' ' OE1' ' A' ' 90' ' ' GLN . 13.5 m -82.79 -178.68 7.19 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.59 -42.96 99.61 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 118.489 0.586 . . . . 0.0 111.713 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.539 ' OE1' ' HB2' ' A' ' 88' ' ' SER . 0.0 OUTLIER -61.15 -24.15 66.08 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 177.419 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -84.21 -32.91 21.84 Favored Glycine 0 N--CA 1.437 -1.291 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 56.5 tp -71.49 -41.86 68.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.18 -33.18 57.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.655 177.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.58 -47.75 82.47 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.909 178.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.423 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 66.8 mt -71.15 -35.6 59.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.975 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.08 -52.6 65.05 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.145 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -63.47 -32.29 73.69 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.222 0.534 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 95' ' ' ILE . 41.2 ttmt -63.37 -50.62 69.2 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.452 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.8 m -79.34 -23.27 12.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.2 t -65.63 -41.15 92.99 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -89.57 -45.06 9.65 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.284 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -125.75 -92.26 0.51 Allowed 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.077 0.465 . . . . 0.0 111.612 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.8 m 179.26 -63.03 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 102.821 -3.029 . . . . 0.0 102.821 -177.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 174.68 88.6 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.682 1.593 . . . . 0.0 108.39 172.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -137.51 36.22 2.47 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-O 123.013 1.387 . . . . 0.0 107.266 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.1 p -72.16 84.76 1.03 Allowed 'General case' 0 C--N 1.274 -2.713 0 CA-C-N 112.592 -2.094 . . . . 0.0 111.975 -177.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.3 m -69.29 -42.36 75.58 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 175.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.0 m -146.91 156.41 43.06 Favored 'General case' 0 N--CA 1.419 -2.003 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 175.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 88.5 t 75.29 94.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.579 0 C-N-CA 124.134 0.973 . . . . 0.0 109.335 -174.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -140.38 -73.05 0.36 Allowed 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 114.225 -1.352 . . . . 0.0 108.802 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -123.78 4.19 8.82 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 123.207 1.48 . . . . 0.0 107.847 170.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 N--CA 1.419 -2.001 0 N-CA-C 102.997 -2.964 . . . . 0.0 102.997 178.548 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 CA-C-O 120.701 0.286 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -69.78 -34.99 74.51 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.02 -49.43 57.76 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.89 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -67.86 -27.99 67.16 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -68.31 -48.05 65.94 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.525 ' OE2' ' HD3' ' A' ' 10' ' ' ARG . 11.5 tp10 -65.86 -30.3 70.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.348 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.55 -36.38 71.56 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.742 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.92 -39.1 93.0 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 120.931 0.396 . . . . 0.0 111.597 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.525 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 66.6 ttt180 -70.88 -48.06 55.79 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.61 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HD3' ' HG3' ' A' ' 7' ' ' GLU . 34.6 mtp180 -65.14 -29.54 70.38 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.52 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -60.95 -47.14 87.79 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -57.43 -36.34 71.26 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.013 0.435 . . . . 0.0 111.478 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--N 1.309 -1.172 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.221 -179.484 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.0 pt . . . . . 0 C--O 1.216 -0.669 0 CA-C-O 120.416 0.151 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.1 mt -67.1 -36.74 82.62 Favored 'General case' 0 C--O 1.212 -0.89 0 O-C-N 122.41 -0.181 . . . . 0.0 111.447 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.3 -21.88 59.53 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.981 0.419 . . . . 0.0 111.849 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -93.99 -29.99 14.95 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 120.815 0.34 . . . . 0.0 111.241 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.8 t -85.31 -45.98 17.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.163 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.441 HD23 ' HB ' ' A' ' 87' ' ' VAL . 90.1 mt -92.38 129.15 38.4 Favored 'General case' 0 C--N 1.28 -2.439 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 176.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.412 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 12.1 t70 -80.54 -178.14 6.57 Favored 'General case' 0 C--N 1.28 -2.442 0 C-N-CA 117.867 -1.533 . . . . 0.0 109.451 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -56.26 -39.16 72.17 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 123.627 0.771 . . . . 0.0 112.217 -174.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 p -65.41 -42.69 92.3 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.302 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.7 -38.34 80.22 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.469 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.566 HH11 ' HG2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -63.62 -42.97 98.13 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.5 175.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.27 -39.29 89.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.35 0.595 . . . . 0.0 110.662 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -70.79 -37.64 73.32 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.796 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.5 tp -63.75 -40.41 96.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.003 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.2 m -60.76 -47.48 86.13 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.679 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -66.8 -29.34 69.26 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.446 0.641 . . . . 0.0 110.253 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.88 -39.93 76.01 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -66.13 -28.83 69.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.477 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.89 -43.59 71.48 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.118 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.7 m -77.13 -51.94 17.66 Favored 'Isoleucine or valine' 0 C--O 1.246 0.892 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.518 ' HE3' ' HG2' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -155.37 94.33 2.6 Favored Pre-proline 0 C--O 1.246 0.899 0 CA-C-O 121.22 0.533 . . . . 0.0 111.51 179.044 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.505 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 23.9 Cg_endo -62.14 -17.24 55.47 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.132 2.554 . . . . 0.0 113.979 -176.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.429 ' OE1' ' HB2' ' A' ' 63' ' ' LYS . 2.7 mp0 -54.32 -49.38 69.82 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.621 0.724 . . . . 0.0 109.821 178.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.518 ' HG2' ' HE3' ' A' ' 63' ' ' LYS . 25.5 mmmt -78.62 -28.78 45.64 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.981 -175.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.446 HG21 ' HB2' ' A' ' 60' ' ' ALA . 7.4 m -56.17 -46.41 79.36 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 28.8 mtpp -57.08 -39.57 75.23 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.372 0.669 . . . . 0.0 111.237 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.89 -45.63 64.0 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.933 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.22 -35.27 52.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.44 ' O ' HG13 ' A' ' 75' ' ' ILE . 51.7 mt-10 -59.52 -47.54 85.15 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.517 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 23.9 t-20 -60.67 -43.86 97.16 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.566 177.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -61.9 -45.37 94.02 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.433 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.67 -37.4 86.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.871 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 71' ' ' GLU . 77.5 mt -58.1 -40.33 76.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 56.6 mm-40 -65.99 -50.05 65.67 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.3 ttt -61.32 -38.09 85.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.453 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.004 176.428 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 33.2 mmtp . . . . . 0 N--CA 1.439 -0.997 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.441 ' HB ' HD23 ' A' ' 48' ' ' LEU . 93.3 t -79.11 116.64 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.894 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 171.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.8 p -80.65 174.06 11.99 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.236 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.412 ' O ' HG13 ' A' ' 93' ' ' ILE . 46.2 mt-10 -59.37 -46.12 89.53 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.395 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 94' ' ' GLU . 11.5 pt20 -60.58 -35.41 76.01 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 123.581 0.551 . . . . 0.0 110.598 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.69 -45.47 65.81 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.63 -39.9 89.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.539 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 93.6 mt -67.67 -37.4 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.928 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 61.7 mm-40 -62.3 -44.08 97.33 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.622 ' O ' HG23 ' A' ' 99' ' ' VAL . 82.5 mt -61.58 -51.06 77.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.542 176.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 41.6 tp -51.88 -39.05 58.36 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.106 0.962 . . . . 0.0 111.315 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 99.4 mttt -58.83 -48.33 81.72 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.632 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . 0.326 0.0 OUTLIER -74.88 -23.63 58.42 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 119.609 -0.836 . . . . 0.0 112.78 -176.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 95' ' ' ILE . 2.9 t -93.82 -7.7 10.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.021 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.173 -176.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.5 p . . . . . 0 N--CA 1.476 0.854 0 C-N-CA 124.673 1.189 . . . . 0.0 114.114 -174.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.514 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -68.07 -34.51 76.57 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.402 -176.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -70.75 -49.87 42.17 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -56.97 -45.58 82.81 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.077 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.06 -54.13 47.01 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.087 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -65.74 -38.94 90.51 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.65 90.93 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.913 0.387 . . . . 0.0 110.598 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.22 -48.3 36.2 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.063 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -63.67 -40.26 96.39 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -175.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -64.89 -30.24 71.22 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.913 0.387 . . . . 0.0 111.734 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -74.67 -49.68 20.42 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -58.86 -34.81 72.02 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.802 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.131 178.865 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.35 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.5 mt -59.4 -42.45 91.77 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -173.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.17 -18.57 62.48 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 120.741 0.305 . . . . 0.0 111.6 -176.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -84.89 -26.63 27.18 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 120.723 0.297 . . . . 0.0 111.457 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.5 m -95.97 -41.68 11.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.512 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.3 mt -79.67 125.76 30.05 Favored 'General case' 0 CA--C 1.492 -1.265 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 6.2 t70 -76.98 179.93 5.91 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 176.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -48.52 -50.36 32.24 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -169.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 m -81.32 -22.19 38.69 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-O 121.138 0.494 . . . . 0.0 111.111 -173.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.35 -35.39 79.27 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.462 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -31.4 66.32 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 118.962 -1.095 . . . . 0.0 110.625 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.14 76.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.461 ' HD2' ' OE1' ' A' ' 89' ' ' GLU . 5.0 tpm_? -55.7 -46.42 77.66 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.311 1.044 . . . . 0.0 109.708 175.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.32 -47.05 85.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.235 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 25.7 t -63.33 -40.08 96.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.08 0.467 . . . . 0.0 109.985 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -64.35 -44.03 92.73 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -40.53 97.5 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.244 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.57 -33.7 73.09 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.866 0.866 . . . . 0.0 111.92 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 57' ' ' SER . 97.9 mt -73.38 -44.59 58.25 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.739 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.3 m -75.22 -59.72 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -135.77 92.11 17.16 Favored Pre-proline 0 CA--C 1.51 -0.558 0 CA-C-N 118.673 0.67 . . . . 0.0 109.85 178.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.12 -13.02 35.3 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 123.299 2.666 . . . . 0.0 112.922 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.33 -38.58 81.66 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 121.387 0.613 . . . . 0.0 109.829 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -79.48 -30.48 42.06 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.619 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.505 ' HA ' HG22 ' A' ' 70' ' ' VAL . 1.9 m -62.25 -40.73 97.18 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -53.46 -45.66 69.63 Favored 'General case' 0 C--O 1.246 0.913 0 C-N-CA 124.209 1.004 . . . . 0.0 109.98 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.22 -51.12 33.29 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.565 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 67' ' ' THR . 35.3 m -63.53 -39.61 85.96 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.611 ' O ' HG12 ' A' ' 75' ' ' ILE . 42.4 mt-10 -54.64 -53.1 59.15 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -56.8 -48.17 78.58 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.795 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -65.35 -42.16 93.1 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.298 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.22 -40.51 94.19 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 121.35 -0.14 . . . . 0.0 111.362 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 71' ' ' GLU . 44.5 mm -61.1 -45.76 97.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 177.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -62.59 -46.83 86.52 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.573 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 55.0 ttm -59.07 -46.18 88.92 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.65 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.756 179.585 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 33.5 mmtp . . . . . 0 N--CA 1.42 -1.934 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.3 t -83.11 111.2 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.136 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 172.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 p -93.84 -170.66 2.38 Favored 'General case' 0 C--N 1.283 -2.29 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.461 ' OE1' ' HD2' ' A' ' 55' ' ' ARG . 42.7 mt-10 -62.67 -37.28 85.78 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 174.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -61.21 -50.27 73.8 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.55 0.531 . . . . 0.0 109.675 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.18 -42.82 99.73 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.453 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.8 tp -67.86 -38.87 83.67 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 122.807 -0.231 . . . . 0.0 110.492 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.62 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 78.4 mt -65.3 -36.77 78.5 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 177.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -62.52 -46.99 85.87 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.471 ' HA ' ' HD3' ' A' ' 98' ' ' LYS . 98.3 mt -63.99 -37.35 79.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.098 0.475 . . . . 0.0 110.298 176.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.56 -41.62 97.64 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.831 176.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.62 ' HG2' ' O ' ' A' ' 93' ' ' ILE . 34.3 mmtp -61.68 -46.32 90.22 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 28.9 mtpp -54.73 -46.27 74.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.285 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.9 m -82.28 -19.03 10.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--N 1.315 -0.927 0 O-C-N 121.608 -0.683 . . . . 0.0 112.016 177.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.22 -36.76 85.16 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-O 121.497 0.665 . . . . 0.0 111.569 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -78.83 -52.45 8.32 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.049 -176.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.02 -28.85 70.38 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tt -57.88 -49.14 77.73 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -78.44 -40.37 35.96 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.063 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.42 -52.28 65.88 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.399 0.437 . . . . 0.0 111.644 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.36 -50.27 72.25 Favored 'General case' 0 CA--C 1.5 -0.97 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -63.65 -42.67 98.08 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 120.364 -0.535 . . . . 0.0 112.042 -175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -47.8 82.53 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -61.91 -47.61 84.16 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.523 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -56.2 -42.63 77.48 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.176 0.99 . . . . 0.0 111.214 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 N--CA 1.436 -1.171 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.869 178.537 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.404 ' O ' HG22 ' A' ' 47' ' ' VAL . 26.5 pt . . . . . 0 C--O 1.223 -0.299 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.03 -42.23 94.53 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.049 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.43 -18.93 64.54 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 71.8 mm-40 -97.32 -38.06 9.8 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 120.971 -0.291 . . . . 0.0 111.727 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 43' ' ' ILE . 22.8 m -80.6 -25.45 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.513 -178.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -106.29 130.46 54.13 Favored 'General case' 0 N--CA 1.416 -2.132 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.87 156.73 32.5 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -52.72 -36.45 57.5 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 123.84 0.856 . . . . 0.0 113.001 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.5 m -73.65 -29.67 62.47 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.289 0.566 . . . . 0.0 110.269 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.94 -35.42 62.14 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -60.05 -39.69 86.83 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.344 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.87 -44.32 70.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.098 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 55' ' ' ARG . 8.8 tpt180 -56.44 -47.55 78.88 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.881 0.872 . . . . 0.0 109.91 178.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 tp -56.95 -47.09 81.5 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.09 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.456 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 49.0 m -62.11 -42.85 99.64 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.702 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -62.91 -38.34 90.6 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.141 0.496 . . . . 0.0 110.164 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.57 -39.3 91.51 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.533 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -62.24 -29.31 70.31 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.464 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 57' ' ' SER . 98.1 mt -77.38 -26.34 51.74 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.29 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 m -93.75 -45.46 13.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.765 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -161.3 102.34 1.23 Allowed Pre-proline 0 C--O 1.243 0.712 0 CA-C-O 121.51 0.672 . . . . 0.0 112.159 173.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.487 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 48.7 Cg_endo -67.06 -8.53 22.06 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.539 2.826 . . . . 0.0 114.078 -176.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -44.36 95.0 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -77.28 -29.2 53.73 Favored 'General case' 0 C--N 1.309 -1.163 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.817 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.533 HG21 ' HB2' ' A' ' 60' ' ' ALA . 7.1 m -61.28 -51.13 70.21 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.585 177.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -62.78 -31.16 72.07 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.665 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.64 -51.18 53.09 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.356 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.412 HG12 HG22 ' A' ' 95' ' ' ILE . 30.4 m -65.74 -39.16 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.892 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 75' ' ' ILE . 55.9 mt-10 -63.36 -51.84 64.22 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 121.289 -0.164 . . . . 0.0 110.65 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -55.65 -43.65 76.45 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 123.653 0.595 . . . . 0.0 110.145 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -60.26 -51.7 68.43 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.538 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.94 -42.61 99.31 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 71' ' ' GLU . 72.0 mt -52.93 -49.08 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-O 121.227 0.537 . . . . 0.0 110.296 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -73.9 -51.2 16.9 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.293 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.5 ttt -59.29 -39.94 84.58 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 123.368 0.667 . . . . 0.0 111.375 -174.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 120.567 0.222 . . . . 0.0 111.242 178.037 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 46.1 mtmt . . . . . 0 N--CA 1.43 -1.427 0 CA-C-O 120.962 0.41 . . . . 0.0 110.082 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.4 t -87.07 117.65 31.63 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.236 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -86.06 -179.8 6.83 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.518 ' O ' HG13 ' A' ' 93' ' ' ILE . 46.2 mt-10 -56.03 -48.53 75.8 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 118.301 0.5 . . . . 0.0 111.625 -178.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -59.43 -34.86 73.01 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.722 0.639 . . . . 0.0 111.297 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.64 -34.85 52.84 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.7 tp -74.03 -27.76 61.09 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 89' ' ' GLU . 97.4 mt -64.93 -31.45 53.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.3 -42.38 99.03 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.503 ' O ' ' HB2' ' A' ' 98' ' ' LYS . 29.5 mm -69.15 -39.64 79.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.617 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.2 tp -64.81 -42.17 95.21 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.208 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.85 -37.1 85.49 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.53 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 95' ' ' ILE . 94.9 mttt -56.78 -58.18 9.25 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 121.466 0.651 . . . . 0.0 111.109 176.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.38 -21.05 19.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.037 -0.983 . . . . 0.0 113.133 -172.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.44 -0.937 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.683 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -65.15 -40.18 94.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.952 0.882 . . . . 0.0 110.028 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.8 -52.16 64.25 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 113.622 -1.626 . . . . 0.0 110.638 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.604 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 11.9 pt-20 -67.32 -39.4 85.85 Favored 'General case' 0 C--O 1.207 -1.182 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.508 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.85 -39.61 94.91 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 122.181 0.192 . . . . 0.0 111.207 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.94 -45.01 94.49 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.611 0.72 . . . . 0.0 109.347 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.78 90.93 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.731 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 78.7 mt -61.8 -43.53 98.67 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 123.235 0.614 . . . . 0.0 111.646 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -58.91 -43.47 91.08 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-O 121.108 0.48 . . . . 0.0 110.419 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -64.55 -41.51 96.28 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.724 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.85 -46.85 80.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.901 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.87 -38.75 70.54 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.464 0.706 . . . . 0.0 110.01 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 121.083 0.468 . . . . 0.0 110.833 179.006 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.524 HG13 HD12 ' A' ' 44' ' ' LEU . 18.5 pt . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 120.532 0.206 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.524 HD12 HG13 ' A' ' 43' ' ' ILE . 5.7 mp -79.64 -31.08 41.52 Favored 'General case' 0 C--O 1.206 -1.204 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.885 176.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.48 -22.54 62.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -84.88 -34.02 22.69 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.328 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.59 HG11 HD12 ' A' ' 74' ' ' LEU . 15.6 t -79.67 -41.23 21.84 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.519 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -101.65 120.32 40.14 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 120.725 0.298 . . . . 0.0 110.411 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.48 161.4 17.31 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 172.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -49.9 -32.64 15.07 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 123.929 0.892 . . . . 0.0 111.746 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.9 p -65.05 -47.29 77.9 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.102 0.477 . . . . 0.0 110.081 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.5 -35.52 75.61 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.043 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -62.23 -43.91 97.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.846 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.32 -40.18 81.75 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.11 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.528 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 6.4 tpt180 -64.38 -37.53 87.83 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.7 tp -58.25 -41.06 83.37 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 123.837 0.855 . . . . 0.0 110.063 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.457 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 24.8 t -66.37 -28.68 68.83 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.57 -46.96 80.49 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.79 -39.1 93.43 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.658 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.4 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -64.7 -22.91 67.09 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 122.959 0.504 . . . . 0.0 112.265 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 57' ' ' SER . 95.1 mt -91.83 -15.79 27.7 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 120.817 0.342 . . . . 0.0 110.654 -178.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 p -108.61 -47.38 7.43 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -141.1 85.62 12.01 Favored Pre-proline 0 C--O 1.245 0.831 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.92 -17.1 58.47 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.858 2.372 . . . . 0.0 113.397 -174.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -71.2 -38.4 72.08 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -74.62 -29.84 61.44 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 6.1 m -64.28 -44.85 90.39 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 174.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -63.21 -39.57 95.0 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.088 -177.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.56 -47.79 80.09 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.799 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -69.03 -36.26 72.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.673 0 C-N-CA 119.466 -0.893 . . . . 0.0 111.078 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.463 ' O ' HG13 ' A' ' 75' ' ' ILE . 40.0 mt-10 -54.25 -51.1 65.59 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 176.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 23.6 t-20 -56.78 -46.6 81.42 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.027 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -62.31 -48.87 77.97 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.399 -178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.59 HD12 HG11 ' A' ' 47' ' ' VAL . 2.8 mm? -63.39 -37.28 86.67 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 71' ' ' GLU . 78.7 mt -59.1 -44.68 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 CA-C-O 120.86 0.362 . . . . 0.0 110.165 177.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 12.2 mm100 -68.48 -43.68 76.42 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.465 0.65 . . . . 0.0 109.6 178.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.3 tpt -58.42 -46.13 87.07 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 125.495 1.518 . . . . 0.0 110.477 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.121 -179.478 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt . . . . . 0 N--CA 1.431 -1.394 0 CA-C-O 121.318 0.58 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.426 ' CG1' ' HA3' ' A' ' 91' ' ' GLY . 50.4 t -84.28 137.52 20.74 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.963 0 C-N-CA 124.239 1.016 . . . . 0.0 108.461 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.0 m -87.48 -170.58 3.09 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.135 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.604 ' O ' HG12 ' A' ' 93' ' ' ILE . 38.0 mt-10 -56.99 -48.07 79.3 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 123.346 0.658 . . . . 0.0 111.269 -175.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -57.39 -41.18 79.76 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 123.313 0.645 . . . . 0.0 112.287 -175.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.426 ' HA3' ' CG1' ' A' ' 87' ' ' VAL . . . -63.94 -38.41 96.03 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.215 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.3 tp -68.17 -35.68 78.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.604 HG12 ' O ' ' A' ' 89' ' ' GLU . 23.5 mm -62.58 -41.58 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.88 -36.38 84.16 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.602 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 77.7 mt -68.74 -36.14 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 45.0 tp -62.15 -38.76 90.25 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.772 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -58.66 -47.86 83.02 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -53.28 -52.07 60.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.987 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.1 m -74.44 -22.19 17.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.255 -175.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.437 -1.111 0 CA-C-O 121.326 0.584 . . . . 0.0 109.862 172.793 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.216 0 CA-C-O 120.995 0.426 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -70.81 -44.09 67.28 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.117 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -57.19 -42.54 81.39 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.659 0.784 . . . . 0.0 111.246 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.02 -49.98 45.95 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.122 0.487 . . . . 0.0 110.437 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.8 -43.88 94.23 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.555 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -65.7 -39.97 91.79 Favored 'General case' 0 C--O 1.183 -2.447 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.821 -177.616 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.27 96.02 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 120.984 0.421 . . . . 0.0 111.25 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.29 -53.21 31.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.418 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 40.8 ttt180 -58.07 -48.89 78.75 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 123.568 0.747 . . . . 0.0 111.158 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' GLU . 65.6 ttt180 -56.78 -47.58 79.84 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 125.3 1.44 . . . . 0.0 110.889 -178.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -64.8 -39.34 93.43 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.256 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -69.56 -32.75 71.72 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.791 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 10' ' ' ARG . 80.3 mt . . . . . 0 N--CA 1.425 -1.684 0 C-N-CA 123.163 0.585 . . . . 0.0 110.839 175.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.494 ' O ' HG23 ' A' ' 47' ' ' VAL . 20.3 pt . . . . . 0 C--O 1.202 -1.405 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.5 -33.81 74.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.726 -176.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.02 77.21 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.061 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -98.21 -19.74 17.68 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 43' ' ' ILE . 83.5 t -72.32 -41.75 65.58 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.958 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.576 HD12 HH11 ' A' ' 53' ' ' ARG . 87.8 mt -87.57 134.8 33.57 Favored 'General case' 0 N--CA 1.407 -2.591 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.72 147.01 50.95 Favored 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 172.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -47.93 -37.85 15.29 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.532 0.733 . . . . 0.0 112.486 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -65.55 -39.86 92.21 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 121.345 0.593 . . . . 0.0 109.794 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.39 -35.77 60.99 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.422 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.576 HH11 HD12 ' A' ' 48' ' ' LEU . 19.8 tpt180 -66.64 -40.7 88.82 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.81 -41.78 96.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.138 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -61.47 -39.38 90.7 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.534 0.734 . . . . 0.0 110.44 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.7 tp -73.0 -29.57 63.13 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.046 0.45 . . . . 0.0 111.261 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.0 m -67.49 -37.6 83.09 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 122.125 0.964 . . . . 0.0 109.244 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -65.45 -37.81 87.99 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.121 -1.4 . . . . 0.0 108.899 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -40.39 87.32 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.39 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.77 -28.47 70.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.12 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.67 -42.18 82.54 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.922 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.54 -48.78 17.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.453 ' HE2' ' HG3' ' A' ' 66' ' ' LYS . 22.2 pttm -159.43 104.8 1.5 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 121.291 0.567 . . . . 0.0 112.506 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -71.05 -9.32 25.39 Favored 'Trans proline' 0 C--O 1.241 0.631 0 C-N-CA 123.668 2.912 . . . . 0.0 114.76 -174.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.61 -32.38 62.31 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 119.152 -1.019 . . . . 0.0 110.554 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.453 ' HG3' ' HE2' ' A' ' 63' ' ' LYS . 25.8 mmmt -78.84 -29.89 44.9 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.3 m -60.95 -51.33 69.74 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.153 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -63.99 -30.53 71.6 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.823 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.89 -51.41 62.13 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 123.635 0.585 . . . . 0.0 110.405 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.3 m -69.66 -37.52 74.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.63 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.509 ' O ' HG13 ' A' ' 75' ' ' ILE . 42.0 mt-10 -60.77 -41.83 96.29 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.008 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -66.02 -36.34 83.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.671 0.748 . . . . 0.0 109.185 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -67.2 -44.21 80.14 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.617 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.75 -37.9 80.26 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 71' ' ' GLU . 63.5 mt -54.91 -44.67 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -75.64 -45.65 36.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.179 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 34.8 ttp -64.93 -40.73 95.48 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.376 -174.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.322 0 CA-C-O 121.127 0.489 . . . . 0.0 110.114 178.838 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? . . . . . 0 C--O 1.256 1.408 0 CA-C-O 120.897 0.379 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.42 116.2 5.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.8 m -78.32 176.67 9.1 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.146 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -51.32 -48.38 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 123.732 0.813 . . . . 0.0 111.486 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -62.97 -28.16 69.9 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.498 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -75.97 -40.14 31.13 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.4 tp -66.71 -47.28 72.86 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.426 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 88.5 mt -61.08 -30.9 48.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.752 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.18 -48.16 81.28 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.367 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 77.4 mt -69.45 -42.63 81.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.381 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.1 tp -54.28 -46.4 72.69 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.651 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 10.1 mtmp? -60.24 -45.6 92.7 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . 0.314 0.0 OUTLIER -71.73 -29.48 64.58 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -179.306 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.6 m -82.75 -18.76 10.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.003 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.434 ' HA ' ' HE2' ' A' ' 66' ' ' LYS . 22.9 t . . . . . 0 N--CA 1.443 -0.811 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.5 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -62.56 -44.42 96.39 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.987 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -72.43 -37.06 68.69 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.598 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.12 -37.19 84.18 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.887 0.375 . . . . 0.0 110.973 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.58 -49.5 74.99 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.704 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 20.3 mm-40 -59.3 -52.99 63.28 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.095 176.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.61 -48.49 66.28 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.683 0.793 . . . . 0.0 112.149 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.26 -43.9 92.44 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.098 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.2 mtp85 -73.34 -42.79 61.86 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.159 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 99.2 mtt180 -61.55 -38.23 86.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.884 0.374 . . . . 0.0 110.567 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -58.95 -53.07 62.5 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.49 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.14 -39.48 92.72 Favored 'General case' 0 C--O 1.201 -1.48 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.705 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 C--N 1.317 -0.835 0 CA-C-O 121.236 0.541 . . . . 0.0 111.512 177.493 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 47' ' ' VAL . 29.7 pt . . . . . 0 N--CA 1.439 -0.995 0 CA-C-O 119.856 -0.116 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.93 -37.51 79.7 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.97 -19.51 60.07 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -97.39 -26.07 15.0 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.118 0.485 . . . . 0.0 111.289 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 78' ' ' ALA . 73.8 t -79.31 -44.94 24.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.972 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -91.04 124.38 35.23 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.24 152.89 42.57 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -48.28 -36.63 14.46 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 123.903 0.752 . . . . 0.0 110.878 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.7 p -63.44 -48.26 78.48 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-O 120.815 0.34 . . . . 0.0 110.821 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.56 -36.38 68.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.513 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -62.2 -46.85 87.08 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.39 85.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.904 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 7.6 tpt180 -59.51 -47.08 86.92 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.4 tp -68.96 -28.4 66.59 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.401 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 56.2 m -64.0 -42.92 97.01 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.057 0.456 . . . . 0.0 110.626 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -72.15 -39.02 69.06 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -56.8 -39.62 74.45 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.434 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.429 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -60.42 -22.34 63.28 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.915 0.886 . . . . 0.0 112.367 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.5 mt -94.99 -44.03 7.88 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.653 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.5 m -74.04 -42.66 52.36 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -143.99 82.53 10.93 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-O 121.415 0.626 . . . . 0.0 111.733 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -64.22 -20.14 66.65 Favored 'Trans proline' 0 C--O 1.241 0.661 0 C-N-CA 123.806 3.004 . . . . 0.0 113.737 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 1.4 tm-20 -69.34 -39.91 77.86 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -175.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -78.95 -29.98 44.32 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.001 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.429 HG21 ' HB2' ' A' ' 60' ' ' ALA . 2.2 m -60.83 -46.83 89.03 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.235 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 65.2 pttt -59.56 -37.66 79.04 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.528 -177.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.18 -49.2 52.8 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.373 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -65.77 -41.63 90.67 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 C-N-CA 120.341 -0.543 . . . . 0.0 112.435 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.45 -39.03 92.05 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.739 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.401 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 21.2 t-20 -62.22 -42.64 99.49 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 176.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -60.86 -48.06 83.51 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.652 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.9 -37.22 86.08 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.535 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.2 mt -58.95 -47.3 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 16.9 mm-40 -62.8 -45.68 91.52 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.994 0.425 . . . . 0.0 111.114 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -66.48 -38.59 87.64 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.317 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . . . . . . 0 CA--C 1.516 -0.339 0 CA-C-O 121.096 0.474 . . . . 0.0 110.336 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.434 -1.261 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.89 125.94 36.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -87.2 178.69 6.81 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.594 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.673 ' O ' HG12 ' A' ' 93' ' ' ILE . 41.1 mt-10 -63.27 -49.45 74.02 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -176.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -60.78 -36.86 80.06 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.654 0.596 . . . . 0.0 110.66 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.44 -39.11 91.41 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.1 tp -67.48 -37.19 82.49 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.673 HG12 ' O ' ' A' ' 89' ' ' GLU . 28.0 mm -59.73 -42.09 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -62.33 -35.62 79.65 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.397 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 73.2 mt -72.64 -39.65 61.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 37.4 tp -59.25 -42.68 91.68 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.141 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.79 -38.32 90.21 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.322 0.582 . . . . 0.0 110.624 177.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -69.22 -38.15 78.41 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.817 -175.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.3 m -79.62 -14.04 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.387 0.613 . . . . 0.0 110.332 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.433 -1.281 0 CA-C-O 121.713 0.768 . . . . 0.0 109.224 174.654 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.64 -46.68 89.39 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.283 0.563 . . . . 0.0 110.973 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -67.05 -49.38 65.35 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.25 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -58.11 -35.86 72.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.5 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.8 -46.26 79.3 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 41.9 tt0 -71.26 -35.27 71.33 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.285 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.86 92.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.92 0.391 . . . . 0.0 110.087 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.01 -46.4 89.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.454 -0.794 . . . . 0.0 108.874 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -60.71 -44.27 96.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.953 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 86.2 mtt180 -60.8 -42.11 96.95 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.411 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -63.77 -50.22 69.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.65 0.594 . . . . 0.0 110.12 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -57.97 -40.85 81.66 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.688 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tm? . . . . . 0 C--N 1.321 -0.643 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.497 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 47' ' ' VAL . 14.9 pt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.89 -53.74 29.13 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.011 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.33 -18.62 63.83 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -177.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -83.46 -38.86 21.3 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.623 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 43' ' ' ILE . 32.6 m -84.29 -37.06 12.51 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.113 0 C-N-CA 120.104 -0.639 . . . . 0.0 111.565 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.1 mt -78.17 129.78 35.55 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -67.07 156.74 35.33 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 174.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -48.89 -37.86 20.91 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 123.835 0.854 . . . . 0.0 111.368 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.8 m -74.4 -33.86 63.13 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.008 0.433 . . . . 0.0 110.212 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.97 -37.91 64.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.903 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -65.28 -41.73 93.86 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.73 91.83 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.592 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -58.14 -39.34 78.53 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.085 0.554 . . . . 0.0 110.272 176.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 67' ' ' THR . 27.3 tp -71.84 -37.73 70.25 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.203 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.6 t -66.15 -26.59 67.5 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-O 121.978 0.894 . . . . 0.0 108.875 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.545 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 2.8 t-20 -69.14 -52.22 30.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.297 174.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.408 ' HA ' HG22 ' A' ' 62' ' ' VAL . 4.6 mm? -60.16 -31.03 69.72 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.089 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.42 -26.46 67.87 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.498 0.719 . . . . 0.0 112.07 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.8 mt -90.17 -19.49 24.18 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.438 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 59' ' ' LEU . 30.1 m -97.1 -48.88 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.263 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.82 93.14 3.51 Favored Pre-proline 0 C--N 1.314 -0.959 0 CA-C-O 121.355 0.598 . . . . 0.0 110.597 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -67.19 -9.68 25.99 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.234 2.623 . . . . 0.0 113.566 -174.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -55.85 -51.2 68.36 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 176.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.512 ' HD3' HG23 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -67.88 -35.12 77.96 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 113.156 -1.838 . . . . 0.0 109.932 -175.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.473 ' HA ' HD11 ' A' ' 56' ' ' LEU . 9.6 m -62.3 -51.14 68.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 123.52 0.513 . . . . 0.0 110.161 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -62.27 -42.11 99.05 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.094 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.07 69.49 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.805 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.427 HG13 HG21 ' A' ' 99' ' ' VAL . 33.2 m -67.73 -39.52 82.22 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.686 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 75' ' ' ILE . 54.5 mt-10 -64.96 -42.45 94.6 Favored 'General case' 0 C--O 1.21 -1.025 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.44 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -64.36 -39.63 94.26 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -64.31 -50.89 66.06 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.737 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.65 -37.6 84.65 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 71' ' ' GLU . 58.8 mt -53.29 -50.37 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 121.208 0.528 . . . . 0.0 109.703 175.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -72.23 -45.09 61.7 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.682 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.8 ttt -59.12 -43.22 91.93 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 123.842 0.857 . . . . 0.0 111.367 -176.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.683 179.261 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 N--CA 1.435 -1.223 0 CA-C-O 122.141 0.972 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -102.22 113.11 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.233 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.3 m -77.66 172.06 13.98 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.436 ' O ' HG13 ' A' ' 93' ' ' ILE . 50.8 mt-10 -53.32 -48.22 68.63 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 117.754 0.252 . . . . 0.0 111.233 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -58.09 -32.68 68.31 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.484 0.49 . . . . 0.0 111.709 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.25 -41.19 47.27 Favored Glycine 0 N--CA 1.438 -1.189 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.6 tp -71.55 -31.11 66.65 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 89' ' ' GLU . 89.8 mt -61.77 -32.06 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.241 0.543 . . . . 0.0 109.77 175.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.428 ' OE2' ' HD2' ' A' ' 97' ' ' LYS . 19.6 tp10 -69.0 -33.66 74.03 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.308 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.1 mm -74.72 -41.82 47.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.76 -44.35 96.85 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.284 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.428 ' HD2' ' OE2' ' A' ' 94' ' ' GLU . 17.0 ptpt -62.74 -34.11 76.52 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 63.1 mtpt -65.5 -52.17 54.7 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 123.536 0.522 . . . . 0.0 110.47 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.512 HG23 ' HD3' ' A' ' 66' ' ' LYS . 11.2 m -67.11 -18.22 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -176.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.539 0.685 . . . . 0.0 110.133 176.84 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.17 -28.83 57.48 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.967 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.0 -48.88 27.17 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 124.193 0.997 . . . . 0.0 110.723 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.94 -26.33 65.01 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.56 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.72 -38.29 89.89 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 173.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -70.23 -48.18 58.14 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.803 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.64 -39.75 71.29 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.762 0.664 . . . . 0.0 111.027 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 58.2 tp -61.91 -35.71 79.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 177.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -71.39 -30.59 66.29 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 11.4 mpt_? -67.32 -37.5 83.42 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 173.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.28 -46.22 84.6 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 5.3 mmp_? -57.01 -37.21 71.39 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 3.4 tm? . . . . . 0 CA--C 1.538 0.488 0 C-N-CA 123.93 0.892 . . . . 0.0 110.617 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.435 HD11 HG12 ' A' ' 75' ' ' ILE . 25.8 pt . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.37 -32.48 72.4 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.162 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.05 -33.43 75.51 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.388 0.613 . . . . 0.0 110.684 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -71.14 -43.71 67.02 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.824 -178.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.621 HG11 HD12 ' A' ' 74' ' ' LEU . 21.9 t -83.16 -44.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.623 -175.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.83 130.96 42.61 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-O 121.954 0.883 . . . . 0.0 112.978 -173.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.76 155.78 22.06 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.439 170.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -50.78 -39.99 54.05 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 124.259 1.024 . . . . 0.0 110.694 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -67.88 -38.36 82.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.176 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.05 -35.46 74.27 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.792 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -73.92 -28.64 61.63 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.333 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.91 77.83 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 173.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -63.29 -42.6 99.1 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.714 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 tp -55.58 -47.88 75.73 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.175 0.99 . . . . 0.0 110.654 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m -59.11 -43.7 91.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.994 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -58.83 -43.92 90.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.317 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.12 -34.76 78.3 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.405 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.44 -29.81 70.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.227 0.537 . . . . 0.0 111.348 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.5 mt -83.22 -23.27 32.87 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.675 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.1 m -103.4 -40.98 6.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -150.68 84.03 5.63 Favored Pre-proline 0 C--O 1.245 0.822 0 CA-C-O 121.518 0.675 . . . . 0.0 111.77 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -57.84 -22.87 55.99 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 123.997 3.132 . . . . 0.0 112.827 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.36 -45.64 84.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.4 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.415 ' HD2' ' HA ' ' A' ' 100' ' ' SER . 0.5 OUTLIER -78.52 -29.93 46.79 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.68 -178.345 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.1 m -62.49 -51.15 68.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -62.82 -33.02 74.35 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.894 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -69.87 -47.12 63.81 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.171 178.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.5 m -68.05 -38.93 80.63 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.825 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.957 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 75' ' ' ILE . 52.0 mt-10 -55.82 -51.06 68.79 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -56.04 -44.12 78.5 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 123.69 0.619 . . . . 0.0 110.308 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -65.34 -47.71 75.53 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.885 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.621 HD12 HG11 ' A' ' 47' ' ' VAL . 3.9 mm? -64.81 -37.43 87.59 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 71' ' ' GLU . 75.9 mt -54.93 -46.18 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -74.59 -37.96 62.76 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.574 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.07 -41.53 88.19 Favored 'General case' 0 C--O 1.249 1.068 0 C-N-CA 124.102 0.961 . . . . 0.0 109.488 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.344 176.471 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? . . . . . 0 C--O 1.241 0.629 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.76 138.84 20.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 175.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.2 m -85.04 -176.2 6.09 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.062 0.458 . . . . 0.0 111.956 -176.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -56.17 -42.99 77.95 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' A' ' 94' ' ' GLU . 90.0 mt-30 -56.76 -43.33 80.68 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 123.376 0.422 . . . . 0.0 112.009 -176.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.63 -40.37 98.54 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.18 -41.54 94.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.716 0.293 . . . . 0.0 110.229 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.8 mt -63.27 -31.09 51.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-O 121.15 0.5 . . . . 0.0 110.516 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 21.0 mm-40 -68.8 -45.73 70.5 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.3 mt -62.66 -37.14 78.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.321 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 48.5 tp -58.33 -37.86 75.98 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.444 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -63.39 -44.68 94.01 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -58.98 -51.36 70.41 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.066 -1.424 . . . . 0.0 110.212 -175.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.426 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 34.5 m -74.71 -20.02 16.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.415 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 73.1 m . . . . . 0 N--CA 1.439 -0.978 0 CA-C-O 120.786 0.326 . . . . 0.0 111.473 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.493 0 CA-C-O 121.282 0.563 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.28 -41.03 64.08 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.412 -174.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -59.37 -45.86 90.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.753 0.658 . . . . 0.0 111.29 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -64.49 -40.2 95.22 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 120.968 0.413 . . . . 0.0 110.086 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.7 tp -64.18 -45.42 88.45 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.962 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -75.27 -33.66 61.28 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.868 -179.342 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.56 91.18 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 174.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.57 -44.78 93.19 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.327 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.59 -44.66 89.95 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.157 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 65.8 mtt180 -57.3 -47.63 81.0 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.3 -42.36 93.14 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.975 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.44 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -64.54 -37.68 88.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.166 -0.334 . . . . 0.0 111.646 175.104 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.3 tp . . . . . 0 C--N 1.32 -0.698 0 CA-C-O 120.927 0.394 . . . . 0.0 109.974 178.282 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 75' ' ' ILE . 28.4 pt . . . . . 0 N--CA 1.436 -1.164 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.484 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 94.6 mt -67.5 -27.39 66.96 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -176.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.48 -31.42 32.93 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.99 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' A' ' 46' ' ' GLN . 8.4 mm-40 -87.87 -44.33 11.15 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.048 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.93 -45.08 77.91 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.524 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 85.2 mt -91.13 126.81 36.33 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.769 178.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.458 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 16.1 t70 -61.23 153.07 27.22 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 173.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 28.7 tt0 -54.94 -32.29 61.19 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 123.349 0.66 . . . . 0.0 111.675 -178.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 m -78.43 -27.2 46.48 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.34 -35.59 71.23 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.625 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -71.67 -26.9 62.71 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.81 176.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.91 75.16 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -62.7 -40.54 97.47 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.906 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.88 -43.13 94.91 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 123.783 0.833 . . . . 0.0 110.484 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m -63.24 -43.69 97.32 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.07 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -62.79 -37.44 86.69 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.031 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -33.74 76.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.66 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.32 -22.78 67.09 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.673 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.5 mp -79.6 -32.47 41.88 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.022 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -87.92 -58.41 3.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -146.5 100.78 4.06 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 117.87 0.305 . . . . 0.0 110.537 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 23.4 Cg_exo -64.4 -20.51 66.37 Favored 'Trans proline' 0 N--CA 1.48 0.729 0 C-N-CA 123.133 2.556 . . . . 0.0 112.507 -177.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.75 -45.13 95.24 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 121.727 0.775 . . . . 0.0 109.06 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.83 -29.77 61.16 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.546 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 64' ' ' PRO . 3.8 m -62.12 -51.62 67.15 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -66.24 -31.05 71.63 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.39 -49.8 65.61 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.73 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.12 -38.68 82.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.371 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 75' ' ' ILE . 52.0 mt-10 -59.62 -49.83 76.24 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.557 0.217 . . . . 0.0 110.672 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -57.33 -43.81 83.68 Favored 'General case' 0 C--O 1.25 1.092 0 C-N-CA 124.305 1.042 . . . . 0.0 109.606 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -62.26 -50.19 72.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.987 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.4 -40.83 97.78 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.409 ' HA ' HD12 ' A' ' 43' ' ' ILE . 78.1 mt -57.72 -43.08 83.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.327 0.584 . . . . 0.0 109.826 177.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -51.01 27.68 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.298 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -36.83 83.34 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.196 178.247 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 N--CA 1.443 -0.784 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.47 119.91 39.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 104.94 -2.244 . . . . 0.0 104.94 168.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -83.42 178.85 7.85 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.708 -176.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -57.62 -40.33 78.92 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 122.577 0.351 . . . . 0.0 110.995 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -57.71 -34.54 69.58 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.461 0.704 . . . . 0.0 110.818 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -75.59 -45.14 18.8 Favored Glycine 0 N--CA 1.437 -1.26 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.64 -38.14 86.59 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.574 -0.313 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.509 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 89.5 mt -62.41 -36.1 73.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.94 178.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 38.9 tt0 -68.88 -41.61 78.1 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.765 177.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 85.1 mt -62.87 -37.29 78.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.67 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.21 -41.53 93.22 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.391 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 95.4 mttt -58.79 -47.26 85.38 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 56.9 mtpt -60.82 -44.07 97.38 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.672 -177.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.3 m -77.92 -22.81 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 N--CA 1.441 -0.908 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 175.667 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.23 -42.12 84.54 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.432 0.634 . . . . 0.0 110.45 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.88 -43.85 91.6 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.669 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.78 -35.25 76.81 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.591 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.5 tp -62.37 -48.54 79.31 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -60.2 -35.32 75.13 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.056 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.99 -48.38 65.95 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.403 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.01 -43.72 98.24 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -57.11 -40.03 76.26 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.29 1.036 . . . . 0.0 111.379 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -80.7 -34.53 34.54 Favored 'General case' 0 C--N 1.312 -1.027 0 O-C-N 122.238 -0.289 . . . . 0.0 111.667 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -57.36 -44.02 83.99 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 124.178 0.991 . . . . 0.0 112.163 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -34.17 77.23 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.03 -0.668 . . . . 0.0 111.023 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 N--CA 1.435 -1.208 0 CA-C-O 121.181 0.515 . . . . 0.0 111.228 175.514 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.8 pt . . . . . 0 N--CA 1.448 -0.535 0 CA-C-O 120.73 0.3 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.08 -44.74 94.57 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.369 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.2 -18.44 65.31 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.8 -25.88 16.46 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.4 m -94.94 -32.74 4.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.15 0.5 . . . . 0.0 111.42 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -91.25 129.36 37.25 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.84 156.74 19.86 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 172.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -55.48 -34.53 64.66 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 122.768 0.427 . . . . 0.0 110.736 -177.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.9 p -65.36 -46.71 79.07 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.335 0.588 . . . . 0.0 110.589 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.06 -38.84 75.89 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.662 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -64.67 -42.22 95.51 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.54 79.47 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.05 175.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -58.39 -39.93 81.0 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.762 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.2 tp -69.39 -29.19 66.89 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 121.138 0.494 . . . . 0.0 110.949 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.4 m -68.27 -38.83 82.14 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 175.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.64 -36.93 85.44 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.416 173.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.82 -35.08 78.73 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.566 176.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.78 -23.14 67.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.538 0.685 . . . . 0.0 111.03 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.8 mt -85.41 -14.37 46.46 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.097 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.2 m -113.63 -49.42 5.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -139.77 88.5 12.15 Favored Pre-proline 0 C--O 1.251 1.138 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.82 -35.93 64.89 Favored 'Trans proline' 0 CA--C 1.518 -0.306 0 C-N-CA 122.676 2.251 . . . . 0.0 111.549 -177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.9 -49.13 69.27 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.833 0.708 . . . . 0.0 110.804 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -76.02 -29.53 58.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.503 -176.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.4 m -60.87 -51.23 70.19 Favored 'General case' 0 C--O 1.224 -0.269 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -60.95 -36.37 79.18 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.565 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.38 -48.71 71.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.582 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -68.8 -37.72 77.81 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.891 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.532 ' O ' HG13 ' A' ' 75' ' ' ILE . 64.9 mt-10 -60.48 -46.21 90.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -58.26 -40.47 81.93 Favored 'General case' 0 C--O 1.245 0.866 0 C-N-CA 124.199 1.0 . . . . 0.0 109.611 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -65.28 -48.01 74.69 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.237 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.56 -38.11 88.78 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 71' ' ' GLU . 91.1 mt -57.06 -41.13 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 121.15 0.5 . . . . 0.0 110.299 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -75.44 -51.89 12.0 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.267 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.5 tpp -63.46 -32.13 73.48 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -174.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.71 0 CA-C-O 120.8 0.333 . . . . 0.0 110.949 177.672 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm . . . . . 0 N--CA 1.416 -2.129 0 CA-C-O 121.033 0.444 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.0 t -93.9 117.24 37.04 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.178 0 N-CA-C 106.541 -1.652 . . . . 0.0 106.541 172.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.6 m -89.99 -173.82 4.01 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 93' ' ' ILE . 38.6 mt-10 -59.24 -44.04 92.36 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 122.795 0.438 . . . . 0.0 112.05 -173.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 94' ' ' GLU . 10.3 tt0 -61.4 -45.17 95.48 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 123.249 0.343 . . . . 0.0 110.761 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.73 -38.65 96.5 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.12 -44.39 96.75 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 89' ' ' GLU . 91.1 mt -64.17 -34.76 70.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.202 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 37.9 mm-40 -62.34 -49.94 73.6 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.77 -38.35 82.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.432 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.51 -41.81 86.25 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 123.264 0.625 . . . . 0.0 110.485 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -68.52 -41.47 79.88 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.526 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -60.71 -40.8 93.65 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.031 0.532 . . . . 0.0 112.181 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.4 m -76.72 -18.39 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 121.229 0.538 . . . . 0.0 111.378 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 N--CA 1.436 -1.165 0 CA-C-O 121.22 0.533 . . . . 0.0 109.807 176.55 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.088 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -78.09 -40.27 38.89 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.105 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.12 -42.07 94.28 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.82 -176.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -72.98 -27.48 61.84 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.389 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.63 -52.95 54.72 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.63 -43.68 76.39 Favored 'General case' 0 C--O 1.222 -0.365 0 O-C-N 123.718 0.636 . . . . 0.0 111.296 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.66 -56.61 18.34 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.625 0.578 . . . . 0.0 111.189 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.5 tp -63.65 -41.26 98.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.769 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -56.07 -47.95 76.99 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 124.006 0.923 . . . . 0.0 109.855 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -74.77 -34.6 62.49 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.13 -45.03 83.87 Favored 'General case' 0 C--O 1.237 0.424 0 O-C-N 123.516 0.51 . . . . 0.0 110.58 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -79.39 -46.32 17.82 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.024 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 N--CA 1.467 0.387 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -175.217 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.3 pt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.304 0.097 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.69 -41.11 98.94 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.468 176.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.65 -22.23 64.41 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -87.42 -32.14 19.7 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.355 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.6 m -88.81 -35.78 8.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.732 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.7 mt -101.34 125.96 48.04 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -78.36 -175.36 4.19 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.468 -0.893 . . . . 0.0 108.84 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -55.55 -40.76 72.32 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -169.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 m -79.72 -31.09 41.12 Favored 'General case' 0 C--O 1.213 -0.826 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.383 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.8 -35.31 72.48 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -65.04 -42.67 94.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.911 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.11 91.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.352 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.574 ' HD3' ' OE1' ' A' ' 89' ' ' GLU . 9.5 tpt180 -64.67 -36.35 83.98 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.881 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.528 HD12 HD11 ' A' ' 59' ' ' LEU . 53.0 tp -63.81 -45.23 90.57 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.797 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.2 m -62.83 -42.75 99.86 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.547 0.689 . . . . 0.0 110.116 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -56.05 -47.01 78.7 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.692 176.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.528 HD11 HD12 ' A' ' 56' ' ' LEU . 4.5 pp -74.74 -33.01 62.27 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 121.208 0.528 . . . . 0.0 111.706 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.513 ' HA ' ' OG1' ' A' ' 67' ' ' THR . . . -59.66 -39.0 82.99 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.769 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.3 tp -72.09 -26.58 62.21 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.74 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.0 m -93.23 -46.48 13.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 120.182 -0.607 . . . . 0.0 112.303 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -141.01 87.88 10.62 Favored Pre-proline 0 C--O 1.244 0.807 0 O-C-N 122.145 -0.347 . . . . 0.0 110.119 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.476 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 36.9 Cg_endo -67.14 -10.96 30.44 Favored 'Trans proline' 0 C--O 1.245 0.835 0 C-N-CA 122.692 2.262 . . . . 0.0 112.769 -178.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -66.37 -45.79 78.91 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -77.96 -28.9 49.56 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.226 -177.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.513 ' OG1' ' HA ' ' A' ' 60' ' ' ALA . 2.4 m -59.09 -41.54 88.29 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.989 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 54.9 mtmt -57.72 -46.18 84.77 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.035 178.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.27 -47.38 82.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.826 0.704 . . . . 0.0 111.965 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.77 -43.6 93.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.843 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 75' ' ' ILE . 63.6 mt-10 -61.65 -46.06 91.38 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.85 -40.25 75.76 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.159 0.984 . . . . 0.0 110.728 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -74.09 -45.07 51.49 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.106 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.02 -43.38 95.31 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 71' ' ' GLU . 74.5 mt -56.48 -46.79 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 123.361 0.413 . . . . 0.0 110.559 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -64.49 -51.15 64.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.0 ttp -64.02 -36.57 84.43 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.031 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.39 0 CA-C-O 120.92 0.39 . . . . 0.0 110.193 175.428 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.428 -1.567 0 CA-C-O 121.186 0.517 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.6 t -99.5 132.52 44.8 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 175.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.3 m -89.56 178.02 6.4 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.574 ' OE1' ' HD3' ' A' ' 55' ' ' ARG . 44.7 mt-10 -57.17 -48.4 78.82 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.572 0.349 . . . . 0.0 111.476 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -61.33 -34.29 75.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.362 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.15 -40.19 88.15 Favored Glycine 0 N--CA 1.451 -0.317 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.0 tp -66.9 -37.88 85.22 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 99.1 mt -67.19 -33.23 61.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.52 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -42.05 99.59 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.0 -42.26 82.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.046 175.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.4 tp -55.63 -38.54 69.64 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.704 0.802 . . . . 0.0 110.73 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -59.55 -53.77 54.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.541 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? -69.67 -29.85 67.38 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -175.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 32.2 m -76.39 -21.51 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.189 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.435 -1.183 0 CA-C-O 121.618 0.723 . . . . 0.0 109.308 176.046 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.466 0.372 0 CA-C-O 121.469 0.652 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -78.42 -32.16 48.49 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.84 0.828 . . . . 0.0 108.855 176.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.47 -34.25 75.61 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.047 -176.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 14.1 pt-20 -64.17 -34.82 78.95 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.4 -47.43 73.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -56.73 -55.45 34.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.242 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.95 93.26 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.966 -177.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.8 tp -67.85 -41.99 82.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.497 -177.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 ttp-105 -60.25 -43.57 95.99 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -62.98 -37.96 89.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.013 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -68.09 -52.24 37.31 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.247 0.546 . . . . 0.0 110.136 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -64.67 -25.14 67.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.724 -177.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.8 tp . . . . . 0 C--N 1.321 -0.652 0 C-N-CA 122.95 0.5 . . . . 0.0 110.032 176.258 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.437 ' O ' HG12 ' A' ' 47' ' ' VAL . 28.6 pt . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 111.029 0.011 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.18 -43.44 82.19 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 121.285 -0.166 . . . . 0.0 110.706 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.64 -24.51 67.61 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -96.46 -35.63 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.063 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 43' ' ' ILE . 10.8 p -75.33 -30.83 23.07 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.007 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.633 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.423 HD23 ' HB ' ' A' ' 87' ' ' VAL . 96.8 mt -106.46 126.24 52.0 Favored 'General case' 0 N--CA 1.421 -1.883 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 177.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -66.15 161.63 21.51 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 173.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -48.36 -37.08 15.85 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 124.151 0.98 . . . . 0.0 110.767 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.575 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 22.8 p -66.83 -48.28 69.39 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.058 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.11 -35.7 78.57 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.387 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -59.58 -40.2 86.61 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.514 0.326 . . . . 0.0 110.445 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.47 92.43 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.198 0.523 . . . . 0.0 110.211 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' A' ' 51' ' ' SER . 5.8 mpt_? -67.34 -39.49 85.81 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.926 178.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.25 -38.02 89.54 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.079 0.466 . . . . 0.0 109.885 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.406 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 39.7 t -66.62 -45.34 79.42 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.634 177.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -57.46 -51.41 69.56 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.679 0.392 . . . . 0.0 110.87 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.2 -32.6 72.37 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.351 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.402 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -68.2 -33.24 74.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.184 0.516 . . . . 0.0 110.978 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 57' ' ' SER . 94.2 mt -76.63 -30.06 56.71 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.115 -177.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 m -89.51 -59.29 2.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 C-N-CA 120.406 -0.518 . . . . 0.0 112.184 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -141.78 97.26 6.58 Favored Pre-proline 0 C--N 1.321 -0.649 0 O-C-N 121.982 -0.449 . . . . 0.0 111.154 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.461 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 18.5 Cg_exo -64.76 -10.38 24.66 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 123.122 2.548 . . . . 0.0 111.221 177.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -51.93 -56.32 14.85 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 126.141 1.776 . . . . 0.0 108.828 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -79.02 -29.88 43.87 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.757 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.461 ' OG1' ' HA ' ' A' ' 64' ' ' PRO . 4.3 m -57.62 -47.91 80.89 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.173 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 49.3 mtmt -61.63 -31.68 71.78 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.054 0.454 . . . . 0.0 110.904 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.33 -50.49 38.67 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.239 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.1 m -67.15 -39.15 82.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.942 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -56.4 -48.53 76.73 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 117.798 0.272 . . . . 0.0 110.557 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.26 -41.65 76.16 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.438 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -67.78 -48.15 67.15 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.862 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.27 -38.47 87.88 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.73 -43.68 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.46 -45.36 76.21 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.217 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.3 ttt -59.49 -42.8 92.94 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 121.222 0.534 . . . . 0.0 110.732 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.529 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.187 179.146 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? . . . . . 0 N--CA 1.409 -2.484 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.423 ' HB ' HD23 ' A' ' 48' ' ' LEU . 98.2 t -69.18 126.19 28.7 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.335 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.4 p -78.45 176.7 9.13 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.766 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' HG13 ' A' ' 93' ' ' ILE . 43.5 mt-10 -59.85 -48.41 81.79 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 174.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.489 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 19.8 mp0 -60.13 -45.06 94.31 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.093 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.32 -41.24 99.75 Favored Glycine 0 N--CA 1.45 -0.43 0 O-C-N 123.694 0.621 . . . . 0.0 112.509 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.7 tp -65.91 -37.81 87.07 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-O 120.907 0.384 . . . . 0.0 110.013 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 89' ' ' GLU . 98.1 mt -66.32 -29.67 47.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.379 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 36.8 mt-10 -68.7 -36.58 78.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.368 0.604 . . . . 0.0 110.009 174.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.437 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 72.4 mt -70.92 -35.88 61.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.709 0.766 . . . . 0.0 109.157 176.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.8 tp -64.28 -43.35 95.07 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.929 178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 94' ' ' GLU . 19.4 ptpt -69.4 -34.75 74.96 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.03 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 95' ' ' ILE . 21.3 ptmt -68.78 -36.9 78.87 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 119.991 -0.684 . . . . 0.0 110.506 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.7 m -82.6 -18.94 10.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.914 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 N--CA 1.452 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.826 176.172 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.49 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.3 -38.98 92.96 Favored 'General case' 0 C--N 1.316 -0.849 0 O-C-N 123.63 0.581 . . . . 0.0 111.867 -176.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.07 -46.97 72.7 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.253 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.34 -34.78 78.74 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.379 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.85 -43.49 75.34 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 35.4 tt0 -62.09 -40.3 95.4 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.02 88.32 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.7 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.97 -45.67 80.87 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -59.39 -47.71 84.41 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.686 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 61.4 mtt-85 -57.43 -41.23 80.03 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.913 0.485 . . . . 0.0 110.917 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.98 -37.77 66.92 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.031 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.565 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -70.33 -36.27 74.15 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.285 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.6 mt . . . . . 0 CA--C 1.502 -0.885 0 C-N-CA 123.233 0.613 . . . . 0.0 111.61 177.325 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.444 ' O ' HG22 ' A' ' 47' ' ' VAL . 26.9 pt . . . . . 0 CA--C 1.528 0.108 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.48 -38.74 92.3 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 120.983 0.42 . . . . 0.0 110.517 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.89 -18.75 62.66 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.917 0.389 . . . . 0.0 111.798 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.7 HE21 ' HA ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -95.04 -34.23 12.4 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.661 -179.166 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 43' ' ' ILE . 34.9 m -96.27 -10.62 8.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.1 mt -112.6 129.98 56.19 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 121.352 0.596 . . . . 0.0 110.95 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.16 155.39 38.44 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 174.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -54.1 -31.64 52.54 Favored 'General case' 0 C--N 1.307 -1.275 0 C-N-CA 123.294 0.638 . . . . 0.0 111.541 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.442 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 30.6 p -64.59 -46.26 83.46 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.472 0.654 . . . . 0.0 110.205 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.49 81.09 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.541 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -69.46 -31.18 69.31 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.003 0.43 . . . . 0.0 111.323 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.22 -45.78 65.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 173.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.468 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -56.8 -44.35 81.86 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.375 0.67 . . . . 0.0 110.022 176.505 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.61 -42.23 87.7 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 124.767 1.227 . . . . 0.0 110.668 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 t -66.5 -41.64 88.6 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.928 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -66.1 -28.95 69.21 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.317 0.579 . . . . 0.0 110.954 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -34.59 69.31 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 123.726 0.81 . . . . 0.0 109.51 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.05 65.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.132 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.53 -16.58 60.82 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.0 m -101.88 -53.72 7.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 119.689 -0.805 . . . . 0.0 112.512 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -151.05 101.7 3.01 Favored Pre-proline 0 CA--C 1.508 -0.647 0 C-N-CA 123.024 0.53 . . . . 0.0 110.006 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -60.75 -22.79 74.59 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.178 2.585 . . . . 0.0 111.889 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -34.16 77.2 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.849 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.409 ' HE2' ' HA ' ' A' ' 100' ' ' SER . 23.7 mmmt -80.01 -30.39 39.58 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 119.466 -0.893 . . . . 0.0 109.231 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m -59.99 -51.17 70.79 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.548 0.739 . . . . 0.0 109.929 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -64.83 -30.83 71.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.089 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.13 -43.49 70.86 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.875 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.09 -40.53 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.996 177.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 75' ' ' ILE . 48.2 mt-10 -56.79 -45.41 82.19 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 176.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -58.66 -41.69 86.66 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 123.58 0.752 . . . . 0.0 110.929 178.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -65.36 -43.97 89.13 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.838 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.45 -37.34 85.53 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.244 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 71' ' ' GLU . 81.0 mt -54.49 -50.26 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 174.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.63 -47.44 81.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.639 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.4 ttt -61.29 -41.87 97.69 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 123.572 0.749 . . . . 0.0 110.613 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.355 177.168 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.532 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 10.1 mptt . . . . . 0 N--CA 1.409 -2.487 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.2 t -80.26 136.23 23.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.9 m -92.26 -173.84 3.55 Favored 'General case' 0 C--O 1.249 1.045 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.46 ' O ' HG13 ' A' ' 93' ' ' ILE . 30.3 mt-10 -57.43 -48.12 79.97 Favored 'General case' 0 C--O 1.213 -0.841 0 C-N-CA 123.121 0.569 . . . . 0.0 111.537 -175.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -57.66 -41.87 82.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.515 0.509 . . . . 0.0 112.261 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.09 -39.74 88.56 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.2 tp -65.35 -36.23 83.37 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 120.836 0.35 . . . . 0.0 110.329 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 89' ' ' GLU . 90.2 mt -62.37 -37.07 77.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.574 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.92 -36.47 83.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.415 0.626 . . . . 0.0 109.706 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.406 ' HA ' ' HG2' ' A' ' 98' ' ' LYS . 83.1 mt -66.71 -38.87 82.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.574 176.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.6 -41.37 98.93 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.203 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 97' ' ' LYS . 8.1 mmpt? -63.73 -44.78 92.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.891 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.406 ' HG2' ' HA ' ' A' ' 95' ' ' ILE . 21.7 ptmt -71.31 -21.41 62.07 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.76 -2.99 9.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 C-N-CA 119.448 -0.901 . . . . 0.0 112.369 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.409 ' HA ' ' HE2' ' A' ' 66' ' ' LYS . 69.9 m . . . . . 0 N--CA 1.444 -0.727 0 O-C-N 123.329 0.393 . . . . 0.0 110.984 175.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.682 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -70.79 -40.66 72.44 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.691 0.758 . . . . 0.0 108.987 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -67.46 -35.87 80.05 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.435 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -63.6 -40.62 97.4 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 123.294 0.638 . . . . 0.0 109.357 176.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.3 -43.68 93.97 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.647 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -58.15 -47.14 84.26 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.8 92.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.752 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.6 tp -62.34 -42.47 99.41 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.337 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -60.46 -41.61 94.48 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 124.731 1.212 . . . . 0.0 110.577 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -78.22 -29.89 48.55 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.21 -42.2 93.7 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 173.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.426 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.56 -37.31 72.91 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.812 0.845 . . . . 0.0 108.995 176.637 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.822 178.137 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.1 pt . . . . . 0 C--O 1.216 -0.703 0 CA-C-O 120.735 0.302 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.1 mt -59.86 -40.27 88.04 Favored 'General case' 0 C--O 1.2 -1.527 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.53 -26.04 67.71 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -96.38 -19.26 19.34 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 121.468 0.652 . . . . 0.0 111.364 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.47 HG21 ' HB2' ' A' ' 78' ' ' ALA . 91.6 t -93.85 -44.66 13.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.268 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.3 mt -90.67 131.78 36.16 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.52 160.23 19.87 Favored 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 171.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -58.56 -34.09 70.65 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 122.421 0.288 . . . . 0.0 111.264 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 m -67.7 -34.21 76.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.91 69.62 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.464 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -44.76 96.29 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 120.822 0.344 . . . . 0.0 111.072 176.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.11 97.69 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.775 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.406 ' HD3' ' OE1' ' A' ' 89' ' ' GLU . 5.9 tpt180 -63.99 -41.3 97.55 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.66 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -49.12 78.47 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.453 1.101 . . . . 0.0 108.367 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.2 t -64.27 -29.82 70.9 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.161 -178.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -63.5 -40.68 97.72 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.729 0.299 . . . . 0.0 110.454 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.38 -32.19 66.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.348 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.54 78.19 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.623 0.725 . . . . 0.0 110.547 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.58 -24.01 62.69 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.97 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.2 m -97.7 -51.66 10.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 119.496 -0.882 . . . . 0.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -148.63 108.25 3.54 Favored Pre-proline 0 N--CA 1.466 0.357 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.95 -20.54 44.79 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.73 2.287 . . . . 0.0 112.003 -175.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.63 -35.64 78.48 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.857 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -79.99 -30.19 39.65 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.829 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 m -62.85 -51.99 64.88 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.357 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -60.58 -30.9 70.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.351 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.5 -49.05 62.56 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.473 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.57 -40.17 87.28 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 C-N-CA 119.834 -0.746 . . . . 0.0 111.458 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.422 ' O ' HG13 ' A' ' 75' ' ' ILE . 41.8 mt-10 -52.94 -50.44 64.02 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.969 0.507 . . . . 0.0 110.615 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.461 ' HA ' HD12 ' A' ' 75' ' ' ILE . 46.1 t-20 -62.48 -41.7 98.97 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.676 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -64.98 -36.98 86.13 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.284 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.75 -37.01 86.14 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.808 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 72' ' ' ASN . 64.8 mt -56.37 -48.18 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 175.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -62.21 -43.94 97.7 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.95 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.4 tpt -59.1 -45.4 90.96 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 122.896 0.478 . . . . 0.0 110.149 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.47 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 121.523 0.678 . . . . 0.0 110.561 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.423 -1.801 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.7 t -80.88 114.9 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.111 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 172.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 p -80.07 -179.72 7.17 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.607 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.443 ' O ' HG13 ' A' ' 93' ' ' ILE . 44.5 mt-10 -64.22 -44.77 90.86 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.408 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -61.33 -35.07 76.38 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.936 0.398 . . . . 0.0 110.703 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.3 -41.19 79.63 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.8 tp -66.33 -37.9 86.42 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.694 -0.253 . . . . 0.0 110.591 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 89' ' ' GLU . 97.8 mt -63.64 -35.47 72.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 122.532 0.333 . . . . 0.0 110.162 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.33 -43.95 96.3 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.96 -41.07 91.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.046 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 43.8 tp -62.27 -42.2 99.14 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.302 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -62.44 -32.61 73.5 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 122.671 0.388 . . . . 0.0 111.49 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.68 -56.22 11.59 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.65 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.1 m -75.64 -17.71 15.67 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.568 -175.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.439 -0.976 0 C-N-CA 123.828 0.851 . . . . 0.0 110.713 175.696 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.457 0 CA-C-O 120.739 0.304 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -73.31 -28.98 62.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.301 0.572 . . . . 0.0 109.767 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.04 -48.34 74.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.836 176.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 48.0 mt-10 -59.77 -38.96 83.27 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.58 -45.16 94.19 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.921 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -68.43 -35.61 77.87 Favored 'General case' 0 C--O 1.2 -1.524 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.994 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -49.9 75.91 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 90.9 mt -57.04 -48.41 78.59 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 121.566 0.698 . . . . 0.0 109.607 175.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -57.59 -49.79 75.25 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 124.663 1.185 . . . . 0.0 111.539 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -64.47 -43.63 93.58 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 123.996 0.918 . . . . 0.0 112.188 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -66.8 -45.09 79.5 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -59.35 -41.39 89.09 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.751 0.42 . . . . 0.0 110.498 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.1 tp . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.623 178.716 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.3 pt . . . . . 0 C--O 1.221 -0.416 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.03 -40.3 87.19 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 122.357 -0.214 . . . . 0.0 110.752 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.24 -18.82 65.59 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 176.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -93.23 -46.39 7.42 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.971 -0.456 . . . . 0.0 111.397 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.9 t -71.92 -43.04 68.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.458 HD23 ' HB ' ' A' ' 87' ' ' VAL . 86.0 mt -92.57 131.57 37.58 Favored 'General case' 0 N--CA 1.415 -2.213 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.71 152.67 18.3 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.844 172.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -53.98 -31.37 50.61 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 123.655 0.782 . . . . 0.0 112.116 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -75.15 -34.69 61.64 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.84 -38.14 76.42 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -64.09 -43.04 96.6 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.073 176.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.5 -42.3 95.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.666 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 6.5 tpt180 -60.92 -46.52 90.33 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD11 ' HA ' ' A' ' 67' ' ' THR . 40.2 tp -68.04 -30.07 69.21 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.461 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.2 t -64.42 -29.77 70.82 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.677 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -71.01 -39.95 72.07 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.08 -31.94 71.6 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.318 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.56 -21.93 66.65 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-O 121.295 0.569 . . . . 0.0 111.739 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.53 -35.43 22.88 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.129 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.54 -51.79 12.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.424 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -146.77 86.83 6.53 Favored Pre-proline 0 C--O 1.248 1.013 0 C-N-CA 122.464 0.306 . . . . 0.0 110.255 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -59.79 -17.93 45.96 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.537 2.158 . . . . 0.0 112.17 178.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.86 -44.16 77.81 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -78.41 -29.36 47.15 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.736 -175.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.411 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 7.5 m -59.57 -50.22 74.73 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -53.93 -46.32 71.47 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.45 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.13 -46.16 74.93 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.998 -176.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.7 m -67.57 -40.65 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 119.316 -0.953 . . . . 0.0 110.638 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.598 ' O ' HG13 ' A' ' 75' ' ' ILE . 56.2 mt-10 -63.78 -39.82 95.18 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -57.89 -44.38 86.67 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.387 1.075 . . . . 0.0 110.464 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -66.97 -43.43 83.1 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.253 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.08 -37.41 87.33 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 71' ' ' GLU . 91.7 mt -54.85 -45.05 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -67.62 -50.85 56.1 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.024 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.5 mmt -59.42 -36.14 75.33 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-O 120.907 0.384 . . . . 0.0 111.973 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.45 177.308 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.532 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 10.6 mptt . . . . . 0 N--CA 1.42 -1.974 0 CA-C-O 121.601 0.715 . . . . 0.0 111.905 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.458 ' HB ' HD23 ' A' ' 48' ' ' LEU . 47.2 t -84.47 118.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.6 p -81.29 178.95 8.07 Favored 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.405 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.501 ' OE2' ' HD3' ' A' ' 55' ' ' ARG . 30.8 mt-10 -57.74 -46.06 84.99 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 123.104 0.562 . . . . 0.0 110.657 179.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -62.06 -27.5 68.94 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.3 -42.48 11.85 Favored Glycine 0 N--CA 1.434 -1.451 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 35.1 tp -68.56 -33.87 74.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.663 0.268 . . . . 0.0 111.106 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 90.5 mt -60.03 -33.73 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.084 0.469 . . . . 0.0 110.533 176.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -68.22 -35.52 78.08 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.5 mm -69.29 -40.3 80.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.6 tp -59.22 -42.04 90.06 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.099 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.622 ' HE2' ' HA ' ' A' ' 97' ' ' LYS . 11.2 mmpt? -66.35 -35.73 81.09 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.493 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -66.79 -43.65 83.36 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.627 0.727 . . . . 0.0 109.503 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.7 m -80.29 -14.23 13.0 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.843 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.3 m . . . . . 0 N--CA 1.438 -1.041 0 CA-C-O 121.019 0.438 . . . . 0.0 109.987 173.07 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 120.668 0.27 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.27 -56.49 21.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.542 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.15 -47.08 84.22 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.441 -176.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -67.85 -26.94 66.29 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.0 tp -77.17 -49.6 14.83 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -59.68 -47.22 86.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.467 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.82 87.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.864 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.54 -40.77 76.66 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -65.56 -45.16 84.39 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.974 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -62.83 -29.0 70.4 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -62.84 -42.77 99.87 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -41.3 89.99 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 CA--C 1.555 1.151 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.252 179.368 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.7 pt . . . . . 0 C--O 1.24 0.587 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.35 -43.22 88.24 Favored 'General case' 0 C--O 1.206 -1.233 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.849 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.56 -21.07 66.14 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -89.08 -34.2 16.85 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.667 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.8 m -89.24 -31.56 5.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.1 mt -87.17 127.98 35.14 Favored 'General case' 0 CA--C 1.485 -1.528 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.482 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 15.1 t70 -76.89 175.65 9.29 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 174.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -48.33 -49.78 32.87 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 125.166 1.387 . . . . 0.0 113.971 -171.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.441 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 46.3 m -71.77 -42.2 67.44 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.273 -174.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.62 93.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.279 0.561 . . . . 0.0 110.23 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -62.92 -44.33 96.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.133 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.95 -36.91 83.28 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.828 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 58' ' ' ASN . 6.6 tpt180 -60.99 -51.56 68.75 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -176.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.405 ' HB3' HD21 ' A' ' 92' ' ' LEU . 2.2 pt? -69.85 -27.86 65.2 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 119.195 -1.002 . . . . 0.0 111.317 -177.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.8 m -60.18 -40.95 91.78 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.442 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 2.8 t-20 -61.01 -42.55 98.67 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.607 173.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.58 -35.92 66.31 Favored 'General case' 0 C--O 1.208 -1.103 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.07 -24.09 66.89 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.026 0.441 . . . . 0.0 112.151 -178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mp -99.46 -8.85 24.12 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -115.73 -43.42 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -143.33 81.84 12.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -65.92 -20.64 57.89 Favored 'Trans proline' 0 C--O 1.242 0.697 0 C-N-CA 123.043 2.495 . . . . 0.0 112.788 -173.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.5 -39.81 94.48 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HE3' ' HA ' ' A' ' 100' ' ' SER . 69.3 mmtt -73.65 -28.63 61.88 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.104 -176.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 5.3 m -57.06 -51.51 68.99 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -64.14 -33.66 76.28 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.678 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.72 -51.47 59.06 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.511 0.507 . . . . 0.0 110.428 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.57 -37.77 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.99 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.549 ' O ' HG13 ' A' ' 75' ' ' ILE . 54.9 mt-10 -56.23 -46.82 79.41 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -65.02 -46.25 82.12 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.315 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -59.41 -41.37 89.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.811 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.5 -38.24 86.82 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.749 176.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 71' ' ' GLU . 79.4 mt -58.5 -47.91 86.93 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 175.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -60.13 -43.51 95.61 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.923 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.3 tpt -58.94 -43.93 91.31 Favored 'General case' 0 C--O 1.249 1.049 0 C-N-CA 123.381 0.672 . . . . 0.0 109.556 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.732 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.053 176.311 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 32.4 mmtp . . . . . 0 C--O 1.244 0.801 0 CA-C-O 121.316 0.579 . . . . 0.0 112.518 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -83.0 117.5 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.347 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 173.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 m -76.18 171.79 13.91 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.784 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 1.4 tt0 -65.54 -38.15 88.79 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -175.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -68.31 -24.62 64.86 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.305 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.39 -39.88 61.02 Favored Glycine 0 N--CA 1.44 -1.07 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' A' ' 56' ' ' LEU . 44.1 tp -66.43 -38.68 87.96 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.95 -36.77 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.884 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -61.44 -44.83 96.43 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.412 ' HA ' ' HE2' ' A' ' 98' ' ' LYS . 86.3 mt -64.7 -48.41 84.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.826 176.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.61 ' HA ' HG22 ' A' ' 99' ' ' VAL . 26.7 tp -58.63 -39.27 80.03 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 124.659 1.184 . . . . 0.0 112.839 -175.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.01 -42.84 99.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.896 0.379 . . . . 0.0 111.751 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' ' 95' ' ' ILE . 41.2 mtmt -71.45 -46.49 59.83 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.742 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.61 HG22 ' HA ' ' A' ' 96' ' ' LEU . 26.7 m -62.7 -23.83 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.955 177.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.498 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 8.7 t . . . . . 0 CA--C 1.543 0.673 0 CA-C-O 121.295 0.569 . . . . 0.0 109.991 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.169 0.509 . . . . 0.0 112.21 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -78.74 -42.12 29.01 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.351 0.596 . . . . 0.0 109.673 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -55.87 -51.61 66.96 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 125.556 1.542 . . . . 0.0 111.693 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.94 -37.55 85.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.054 0.454 . . . . 0.0 110.999 -177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.4 tp -73.39 -40.91 63.96 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.981 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.32 -44.35 88.11 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.979 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.28 85.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.299 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.15 -52.83 63.9 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.24 176.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -60.25 -51.33 70.0 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.774 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -60.75 -41.16 94.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.613 -0.722 . . . . 0.0 112.035 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -67.28 -44.11 80.11 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 120.523 -0.471 . . . . 0.0 109.913 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 tpt85 -65.69 -29.34 69.87 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.888 -178.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.5 tp . . . . . 0 C--O 1.24 0.564 0 C-N-CA 123.316 0.646 . . . . 0.0 109.794 176.427 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 75' ' ' ILE . 29.9 pt . . . . . 0 N--CA 1.444 -0.732 0 CA-C-O 120.672 0.272 . . . . 0.0 111.671 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.94 -44.41 85.15 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 121.02 0.438 . . . . 0.0 110.654 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.91 -29.06 70.49 Favored 'General case' 0 C--N 1.307 -1.256 0 C-N-CA 123.933 0.893 . . . . 0.0 112.851 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -89.75 -26.54 20.57 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.587 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.7 m -88.97 -27.64 5.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.309 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.9 mt -100.72 124.26 46.08 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.504 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 32.5 t70 -65.31 160.5 21.58 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 171.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -48.22 -37.08 15.09 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 124.249 1.02 . . . . 0.0 111.247 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.7 p -67.22 -51.02 58.35 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.727 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.4 -35.26 78.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.722 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.496 ' NH1' HD23 ' A' ' 56' ' ' LEU . 17.5 tpt85 -62.26 -44.91 95.46 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.29 90.52 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.279 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -59.34 -35.59 74.14 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 123.552 0.741 . . . . 0.0 111.304 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.534 HD12 HD11 ' A' ' 59' ' ' LEU . 50.7 tp -63.2 -41.24 99.13 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.914 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -65.34 -35.82 82.14 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -60.45 -49.17 78.62 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.945 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.534 HD11 HD12 ' A' ' 56' ' ' LEU . 4.4 pp -71.93 -37.12 70.09 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.411 0.444 . . . . 0.0 111.981 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.624 ' HA ' ' OG1' ' A' ' 67' ' ' THR . . . -54.81 -28.12 47.04 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 124.158 0.983 . . . . 0.0 112.953 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.12 -13.46 30.69 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -115.42 -26.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.318 -0.553 . . . . 0.0 112.414 -177.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -144.56 73.71 15.42 Favored Pre-proline 0 C--N 1.308 -1.224 0 CA-C-O 121.85 0.833 . . . . 0.0 110.274 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -69.99 -23.51 29.64 Favored 'Trans proline' 0 C--O 1.244 0.82 0 C-N-CA 123.373 2.715 . . . . 0.0 113.882 -172.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -74.03 -34.72 64.21 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -78.34 -28.83 47.35 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.576 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.624 ' OG1' ' HA ' ' A' ' 60' ' ' ALA . 10.6 m -60.46 -43.81 96.53 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -57.33 -41.79 80.66 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.268 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.82 -46.58 71.46 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 123.863 0.727 . . . . 0.0 111.354 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.97 -43.33 89.26 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.091 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.768 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.508 ' O ' HG13 ' A' ' 75' ' ' ILE . 54.6 mt-10 -59.15 -48.12 82.77 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.556 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 26.8 t-20 -58.18 -43.59 87.6 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.733 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.406 ' HA ' HE21 ' A' ' 76' ' ' GLN . 50.0 t80 -62.49 -40.25 96.11 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.51 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.87 -41.82 91.13 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.825 175.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 71' ' ' GLU . 76.1 mt -55.63 -46.13 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 121.41 0.624 . . . . 0.0 110.517 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 21.2 pt20 -75.52 -44.63 42.62 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.9 ttp -67.43 -36.3 80.95 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.348 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 179.08 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.504 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 48.0 mmtm . . . . . 0 N--CA 1.43 -1.466 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 p -89.99 150.43 3.73 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 176.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 m -87.36 163.58 16.71 Favored 'General case' 0 C--N 1.289 -2.027 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -58.63 -45.44 89.25 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 120.951 0.405 . . . . 0.0 110.183 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -68.93 -18.65 64.13 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.34 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -78.77 -39.05 22.14 Favored Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 176.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.5 tp -70.07 -40.09 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.561 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 89.6 mt -63.08 -34.03 64.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.567 177.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.95 -35.92 81.75 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.401 ' O ' HG13 ' A' ' 99' ' ' VAL . 78.6 mt -70.21 -45.63 75.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.371 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 36.6 tp -57.21 -31.47 65.52 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.426 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 88.7 mttt -65.3 -53.94 36.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.643 177.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -68.65 -35.14 76.87 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -176.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 95' ' ' ILE . 19.0 m -62.07 -14.0 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.437 -1.102 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.844 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.872 0 CA-C-O 120.895 0.379 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -67.77 -32.34 72.86 Favored 'General case' 0 C--O 1.201 -1.463 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.775 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.92 -47.29 75.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.514 0.673 . . . . 0.0 109.411 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -68.22 -36.59 79.75 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.313 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.54 -32.21 69.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.266 0.555 . . . . 0.0 110.133 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -70.89 -38.21 73.02 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.65 70.99 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.229 0.537 . . . . 0.0 110.172 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.68 -41.19 92.71 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.176 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -69.87 -35.79 74.96 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.879 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -65.63 -31.32 72.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.289 175.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -65.2 -44.62 87.78 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 173.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -64.33 -30.07 71.13 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.075 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt . . . . . 0 C--N 1.308 -1.199 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 176.005 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.2 pt . . . . . 0 C--O 1.208 -1.089 0 N-CA-C 111.395 0.146 . . . . 0.0 111.395 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.25 -27.43 69.34 Favored 'General case' 0 C--O 1.203 -1.391 0 C-N-CA 122.531 0.332 . . . . 0.0 111.676 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.88 -29.55 67.87 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 120.898 0.38 . . . . 0.0 110.959 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 15.1 mm100 -96.56 -24.7 15.92 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.475 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 78' ' ' ALA . 93.5 t -89.54 -42.68 14.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.301 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -101.56 129.55 47.68 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.14 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -59.95 157.07 13.28 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.978 174.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -50.13 -35.77 27.18 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 124.402 1.081 . . . . 0.0 112.18 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.7 m -73.76 -37.3 65.08 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.454 0.645 . . . . 0.0 109.848 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.33 70.41 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.744 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -59.61 -37.87 79.74 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.019 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.11 92.65 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.522 0.677 . . . . 0.0 110.283 178.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -64.93 -47.63 77.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.692 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.28 -43.03 82.75 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.298 0.639 . . . . 0.0 110.605 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.5 m -63.28 -41.03 98.96 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.769 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -64.68 -42.97 94.98 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.568 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.31 -35.09 73.17 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.927 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.9 -21.8 63.7 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 123.621 0.768 . . . . 0.0 112.795 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.1 mp -91.86 -28.12 17.51 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -94.1 -52.76 9.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -175.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -136.56 81.5 35.69 Favored Pre-proline 0 C--O 1.247 0.923 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.96 -27.75 85.61 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.36 2.707 . . . . 0.0 112.654 -175.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -62.97 -39.33 94.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.022 0.439 . . . . 0.0 110.597 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -78.47 -29.6 46.93 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.186 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.4 m -63.23 -45.96 89.14 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -57.87 -47.18 83.48 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.805 0.842 . . . . 0.0 109.203 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.62 88.87 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.944 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.2 -41.53 75.23 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 CA-C-O 118.948 -0.549 . . . . 0.0 111.815 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.56 ' O ' HG13 ' A' ' 75' ' ' ILE . 47.0 mt-10 -53.32 -51.47 62.26 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.072 0.463 . . . . 0.0 109.835 176.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -58.95 -36.04 74.13 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.033 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -69.37 -44.07 72.3 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.34 -37.18 86.29 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.096 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 71' ' ' GLU . 68.7 mt -56.05 -46.28 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 CA-C-O 121.854 0.835 . . . . 0.0 108.792 174.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.25 -41.82 96.8 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.46 -1.246 . . . . 0.0 110.244 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.0 ttt -68.65 -39.2 80.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.216 0.532 . . . . 0.0 110.653 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.406 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . . . . . . 0 CA--C 1.513 -0.454 0 C-N-CA 123.807 0.843 . . . . 0.0 111.092 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 96.9 mttt . . . . . 0 N--CA 1.418 -2.057 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.87 132.02 33.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.2 m -86.19 179.57 6.91 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.674 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -55.01 -48.1 73.82 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.767 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -55.44 -48.78 73.92 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 124.358 1.036 . . . . 0.0 110.771 -176.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.91 -42.63 96.82 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.422 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.6 tp -63.69 -43.6 96.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 110.214 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.83 -34.46 70.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.599 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.65 -38.61 89.84 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.5 175.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.5 mt -66.73 -37.28 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.09 -48.44 80.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.752 176.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.04 -43.67 91.69 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.153 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.94 -49.24 78.48 Favored 'General case' 0 N--CA 1.432 -1.33 0 C-N-CA 123.213 0.605 . . . . 0.0 111.669 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.89 -18.86 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.308 -1.232 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 175.304 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -68.79 -25.99 64.98 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.474 0.654 . . . . 0.0 111.106 -177.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -69.17 -47.72 64.17 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.353 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.79 -32.61 69.77 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.914 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.86 -39.97 96.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.836 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -59.92 -47.13 87.03 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.13 88.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.885 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.62 -34.06 60.54 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -68.41 -31.11 70.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.274 0.559 . . . . 0.0 109.788 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 97.0 mtt180 -62.1 -37.93 86.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.81 174.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -67.28 -39.52 86.05 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -60.93 -39.37 89.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.126 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.319 -0.728 0 C-N-CA 123.849 0.86 . . . . 0.0 110.35 179.583 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.2 pt . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 120.642 0.258 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.49 -36.16 79.7 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.051 0.453 . . . . 0.0 110.355 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.11 -18.49 61.29 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.323 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 25.6 mm-40 -86.16 -37.02 19.15 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 120.918 0.389 . . . . 0.0 110.261 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.2 p -83.64 -32.94 9.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.806 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.0 mt -104.35 126.01 51.08 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.791 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -61.02 160.37 10.02 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.138 175.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -47.95 -38.96 17.89 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 124.541 1.137 . . . . 0.0 111.126 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.6 m -72.48 -36.08 68.34 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.292 0.568 . . . . 0.0 110.201 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.65 -36.37 65.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.987 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -62.3 -39.11 91.91 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.952 0.406 . . . . 0.0 110.106 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.88 -35.32 79.76 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.982 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 12.5 tpt180 -67.75 -36.73 81.07 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.997 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.37 -49.56 74.1 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.84 0.456 . . . . 0.0 111.274 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.8 t -64.02 -38.19 90.16 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.484 0.49 . . . . 0.0 109.855 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -58.01 -50.69 72.55 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.827 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.11 -37.07 84.82 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.439 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -62.86 -23.75 67.46 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 122.775 0.43 . . . . 0.0 112.127 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.78 -9.06 29.62 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 120.894 0.378 . . . . 0.0 111.323 -177.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.7 p -115.46 -44.6 3.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 C-N-CA 120.275 -0.57 . . . . 0.0 112.242 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -143.64 81.34 12.18 Favored Pre-proline 0 C--O 1.24 0.567 0 C-N-CA 122.3 0.24 . . . . 0.0 110.36 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.68 -23.76 76.89 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.822 2.348 . . . . 0.0 113.305 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -62.35 -38.82 90.99 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.731 0.3 . . . . 0.0 111.0 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.403 ' NZ ' ' HA ' ' A' ' 100' ' ' SER . 25.9 mmmt -79.34 -31.78 43.12 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.258 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 60' ' ' ALA . 3.8 m -62.35 -49.47 75.46 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.914 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -61.79 -32.81 73.12 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.854 0.359 . . . . 0.0 110.717 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.24 76.37 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.134 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.01 -41.42 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.961 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.449 ' O ' HG13 ' A' ' 75' ' ' ILE . 48.8 mt-10 -58.44 -43.65 88.85 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.382 0.134 . . . . 0.0 110.702 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -54.81 -40.43 69.52 Favored 'General case' 0 C--O 1.239 0.553 0 C-N-CA 123.698 0.799 . . . . 0.0 110.473 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -74.08 -51.99 14.04 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.933 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.32 -37.09 76.89 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 71' ' ' GLU . 68.2 mt -53.6 -50.48 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 123.166 0.291 . . . . 0.0 110.544 176.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -72.87 -41.3 64.85 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.677 -178.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.9 ttt -59.64 -41.81 91.36 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 122.987 0.515 . . . . 0.0 111.18 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.694 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.521 177.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 57.1 mtmt . . . . . 0 N--CA 1.426 -1.637 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.3 t -77.68 132.02 33.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.3 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.1 m -90.54 -170.82 2.85 Favored 'General case' 0 C--O 1.25 1.126 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.497 ' O ' HG13 ' A' ' 93' ' ' ILE . 51.3 mt-10 -58.45 -47.37 84.22 Favored 'General case' 0 C--O 1.199 -1.571 0 C-N-CA 122.75 0.42 . . . . 0.0 112.095 -175.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -61.02 -35.27 76.42 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-O 121.002 0.43 . . . . 0.0 111.597 -176.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.495 ' O ' HG12 ' A' ' 95' ' ' ILE . . . -69.97 -42.43 68.78 Favored Glycine 0 N--CA 1.434 -1.444 0 N-CA-C 110.251 -1.139 . . . . 0.0 110.251 176.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.5 tp -66.73 -38.24 86.27 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 122.509 0.324 . . . . 0.0 111.329 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.528 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 80.2 mt -59.54 -36.61 65.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.71 -35.22 74.87 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.225 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 91' ' ' GLY . 28.7 mm -63.35 -42.28 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 174.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.429 ' HA ' HG22 ' A' ' 99' ' ' VAL . 18.2 tp -62.29 -34.31 76.34 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.869 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 93' ' ' ILE . 32.4 mmmt -63.35 -48.49 77.75 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 176.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -59.03 -46.94 86.95 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.749 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 96' ' ' LEU . 19.8 m -73.36 -22.69 19.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.915 0.388 . . . . 0.0 112.033 -178.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 66' ' ' LYS . 66.5 m . . . . . 0 N--CA 1.438 -1.066 0 O-C-N 122.054 -0.404 . . . . 0.0 111.578 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.533 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.48 -34.2 60.87 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.14 -34.97 75.85 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.487 175.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -61.61 -44.04 97.74 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.787 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.0 tp -66.49 -42.61 87.18 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 123.496 0.498 . . . . 0.0 109.765 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 14.2 tp10 -57.47 -55.59 32.86 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.838 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.03 99.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.273 -177.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.474 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 6.7 tt -61.01 -52.59 64.36 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 123.677 0.611 . . . . 0.0 109.678 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.89 -43.48 95.89 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.283 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 79.1 mtp180 -64.54 -44.97 89.13 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.421 0.153 . . . . 0.0 111.281 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -63.24 -51.96 64.09 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.25 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.474 ' HD2' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -57.2 -38.19 73.31 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.456 0.473 . . . . 0.0 111.647 178.291 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 C--N 1.331 -0.219 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -179.777 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.4 pt . . . . . 0 C--O 1.211 -0.967 0 CA-C-O 120.791 0.329 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.5 mt -75.48 -34.26 60.87 Favored 'General case' 0 C--O 1.206 -1.195 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.163 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.9 -26.76 40.11 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -177.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -83.03 -26.96 30.68 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.098 0.475 . . . . 0.0 109.919 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.2 t -92.12 -45.69 14.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.03 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.479 HD23 ' HB ' ' A' ' 87' ' ' VAL . 92.6 mt -89.8 129.55 36.18 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -61.93 162.7 8.68 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -53.52 -36.45 61.78 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 123.608 0.763 . . . . 0.0 110.03 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 m -68.02 -40.77 82.86 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.613 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.28 -35.72 68.8 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.24 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -61.77 -40.37 94.95 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.763 0.316 . . . . 0.0 110.194 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.97 -47.22 69.18 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.661 177.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -57.12 -44.42 83.29 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 122.775 0.43 . . . . 0.0 110.731 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.46 HD21 ' HG2' ' A' ' 71' ' ' GLU . 57.7 tp -62.3 -42.37 99.3 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.2 m -63.02 -38.76 92.48 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.566 0.698 . . . . 0.0 110.85 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -72.35 -32.04 66.13 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.573 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -68.82 -36.48 78.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.457 ' HA ' ' OG1' ' A' ' 67' ' ' THR . . . -58.51 -25.5 62.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.838 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.7 mt -81.75 -38.72 25.25 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.685 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -75.14 -38.74 42.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.625 -0.43 . . . . 0.0 112.096 -177.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -169.67 104.68 0.46 Allowed Pre-proline 0 C--O 1.243 0.717 0 C-N-CA 122.812 0.445 . . . . 0.0 111.227 173.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.471 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 49.1 Cg_endo -68.85 -10.16 28.34 Favored 'Trans proline' 0 CA--C 1.534 0.496 0 C-N-CA 123.041 2.494 . . . . 0.0 113.436 -175.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.05 -41.1 87.07 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.187 0.517 . . . . 0.0 110.097 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -78.8 -29.22 44.76 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.532 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.471 ' OG1' ' HA ' ' A' ' 64' ' ' PRO . 6.6 m -59.74 -50.9 72.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.187 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -64.6 -30.73 71.76 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.766 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.83 79.54 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.411 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.0 m -71.89 -42.42 69.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.874 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.46 ' HG2' HD21 ' A' ' 56' ' ' LEU . 47.3 mt-10 -56.27 -52.27 65.11 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.664 0.269 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -61.47 -36.17 79.69 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.188 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.01 -48.11 77.62 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.728 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.31 -37.78 88.6 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.609 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 71' ' ' GLU . 78.1 mt -55.79 -49.37 75.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 O-C-N 123.372 0.42 . . . . 0.0 110.018 175.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.29 -50.06 71.6 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.8 mmt -63.51 -32.04 73.38 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -177.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 N--CA 1.433 -1.307 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.479 ' HB ' HD23 ' A' ' 48' ' ' LEU . 59.8 t -97.98 114.16 34.57 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.62 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 173.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.539 ' HB2' ' OE1' ' A' ' 90' ' ' GLN . 13.5 m -82.79 -178.68 7.19 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.59 -42.96 99.61 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 118.489 0.586 . . . . 0.0 111.713 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.539 ' OE1' ' HB2' ' A' ' 88' ' ' SER . 0.0 OUTLIER -61.15 -24.15 66.08 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 177.419 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -84.21 -32.91 21.84 Favored Glycine 0 N--CA 1.437 -1.291 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 56.5 tp -71.49 -41.86 68.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.18 -33.18 57.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.655 177.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.58 -47.75 82.47 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.909 178.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.423 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 66.8 mt -71.15 -35.6 59.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.975 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.08 -52.6 65.05 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.145 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -63.47 -32.29 73.69 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.222 0.534 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 95' ' ' ILE . 41.2 ttmt -63.37 -50.62 69.2 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.452 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.8 m -79.34 -23.27 12.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.443 -0.796 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.247 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.784 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.1 m 59.74 20.94 9.7 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.873 1.269 . . . . 0.0 112.583 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.37 -38.82 68.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.626 -175.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -69.78 -34.99 74.51 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.02 -49.43 57.76 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.89 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -67.86 -27.99 67.16 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -68.31 -48.05 65.94 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.525 ' OE2' ' HD3' ' A' ' 10' ' ' ARG . 11.5 tp10 -65.86 -30.3 70.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.348 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.55 -36.38 71.56 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.742 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.1 mt -64.92 -39.1 93.0 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 120.931 0.396 . . . . 0.0 111.597 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.525 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 66.6 ttt180 -70.88 -48.06 55.79 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.61 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HD3' ' HG3' ' A' ' 7' ' ' GLU . 34.6 mtp180 -65.14 -29.54 70.38 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.52 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 28.6 tt0 -60.95 -47.14 87.79 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 6.2 mpt_? -57.43 -36.34 71.26 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.013 0.435 . . . . 0.0 111.478 176.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -72.6 -47.8 44.93 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.221 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.76 -45.45 51.8 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.686 -172.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 19.4 mm-40 -70.41 -23.52 62.76 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.746 -176.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 1.8 tm? -57.15 -48.6 78.3 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 177.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 64.64 89.24 0.09 Allowed 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.519 -177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.95 108.15 5.05 Favored 'General case' 0 C--N 1.3 -1.579 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.623 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.95 166.17 11.91 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 173.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -101.65 -5.1 25.46 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.016 0.436 . . . . 0.0 111.149 175.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.16 -40.2 2.56 Favored Glycine 0 CA--C 1.491 -1.454 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.929 172.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -110.14 150.29 41.28 Favored Pre-proline 0 C--N 1.288 -2.078 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -101.02 31.15 0.1 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 122.963 2.442 . . . . 0.0 111.61 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.23 -161.23 9.07 Favored Glycine 0 N--CA 1.427 -1.927 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.832 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.7 t70 48.78 -90.91 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.813 1.645 . . . . 0.0 113.294 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.41 -30.95 70.85 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 120.688 0.28 . . . . 0.0 110.693 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.64 -28.24 63.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.841 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -73.4 -43.9 59.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.45 0.643 . . . . 0.0 109.335 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -67.77 -38.55 83.54 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.967 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 34.9 tt0 -58.7 -50.84 72.39 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.929 176.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.47 -46.19 80.52 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.075 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -65.99 -37.69 86.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.397 0.618 . . . . 0.0 110.417 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -63.54 -40.79 97.91 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.903 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 40.1 mtp180 -66.43 -31.01 71.5 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.837 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.5 -45.96 90.62 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.44 0.638 . . . . 0.0 109.723 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.18 -40.76 67.68 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.507 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -56.31 -45.26 80.36 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 123.767 0.827 . . . . 0.0 111.323 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -65.33 -37.88 88.41 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.291 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.428 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 83.3 mtt85 -74.71 -42.42 58.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.273 0.559 . . . . 0.0 110.269 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -64.8 -44.44 89.92 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 123.759 0.824 . . . . 0.0 111.501 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.472 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 30.5 p -61.93 -47.11 86.4 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.0 pt -64.69 -40.06 87.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.685 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 92.1 mt -67.1 -36.74 82.62 Favored 'General case' 0 C--O 1.212 -0.89 0 O-C-N 122.41 -0.181 . . . . 0.0 111.447 178.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.3 -21.88 59.53 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.981 0.419 . . . . 0.0 111.849 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 42' ' ' SER . 90.4 mt-30 -93.99 -29.99 14.95 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 120.815 0.34 . . . . 0.0 111.241 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.735 HG13 ' HG ' ' A' ' 83' ' ' LEU . 30.8 t -85.31 -45.98 17.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.163 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.441 HD23 ' HB ' ' A' ' 87' ' ' VAL . 90.1 mt -92.38 129.15 38.4 Favored 'General case' 0 C--N 1.28 -2.439 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 176.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.412 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 12.1 t70 -80.54 -178.14 6.57 Favored 'General case' 0 C--N 1.28 -2.442 0 C-N-CA 117.867 -1.533 . . . . 0.0 109.451 176.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -56.26 -39.16 72.17 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 123.627 0.771 . . . . 0.0 112.217 -174.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 p -65.41 -42.69 92.3 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.302 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.7 -38.34 80.22 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.469 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.566 ' HG2' HH11 ' A' ' 53' ' ' ARG . 0.0 OUTLIER -63.62 -42.97 98.13 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.5 175.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.27 -39.29 89.83 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.35 0.595 . . . . 0.0 110.662 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -70.79 -37.64 73.32 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.796 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.5 tp -63.75 -40.41 96.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.003 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.2 m -60.76 -47.48 86.13 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.679 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -66.8 -29.34 69.26 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.446 0.641 . . . . 0.0 110.253 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.88 -39.93 76.01 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -66.13 -28.83 69.1 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.477 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.89 -43.59 71.48 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.118 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.7 m -77.13 -51.94 17.66 Favored 'Isoleucine or valine' 0 C--O 1.246 0.892 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.518 ' HE3' ' HG2' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -155.37 94.33 2.6 Favored Pre-proline 0 C--O 1.246 0.899 0 CA-C-O 121.22 0.533 . . . . 0.0 111.51 179.044 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.505 ' O ' ' HG3' ' A' ' 68' ' ' LYS . 23.9 Cg_endo -62.14 -17.24 55.47 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.132 2.554 . . . . 0.0 113.979 -176.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.429 ' OE1' ' HB2' ' A' ' 63' ' ' LYS . 2.7 mp0 -54.32 -49.38 69.82 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.621 0.724 . . . . 0.0 109.821 178.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.518 ' HG2' ' HE3' ' A' ' 63' ' ' LYS . 25.5 mmmt -78.62 -28.78 45.64 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.981 -175.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.446 HG21 ' HB2' ' A' ' 60' ' ' ALA . 7.4 m -56.17 -46.41 79.36 Favored 'General case' 0 C--O 1.211 -0.964 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 28.8 mtpp -57.08 -39.57 75.23 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.372 0.669 . . . . 0.0 111.237 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.89 -45.63 64.0 Favored 'General case' 0 N--CA 1.43 -1.425 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.933 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.22 -35.27 52.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' O ' HG13 ' A' ' 75' ' ' ILE . 51.7 mt-10 -59.52 -47.54 85.15 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.517 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 23.9 t-20 -60.67 -43.86 97.16 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.566 177.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -61.9 -45.37 94.02 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.433 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.67 -37.4 86.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.871 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 71' ' ' GLU . 77.5 mt -58.1 -40.33 76.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 56.6 mm-40 -65.99 -50.05 65.67 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.3 ttt -61.32 -38.09 85.61 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.453 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.471 ' HA ' HD23 ' A' ' 83' ' ' LEU . . . -67.27 -32.01 72.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.004 176.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -71.04 -19.0 62.55 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.178 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.433 ' HD1' ' O ' ' A' ' 76' ' ' GLN . 39.1 m-85 -77.68 -17.82 57.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.913 0.387 . . . . 0.0 110.958 175.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 68.82 25.6 75.11 Favored Glycine 0 C--O 1.226 -0.348 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -92.45 4.44 53.47 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.735 ' HG ' HG13 ' A' ' 47' ' ' VAL . 2.9 mm? -94.67 90.98 6.31 Favored 'General case' 0 CA--C 1.485 -1.553 0 C-N-CA 119.326 -0.95 . . . . 0.0 112.063 -176.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.1 m -86.35 -42.69 13.47 Favored 'General case' 0 N--CA 1.41 -2.457 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -102.75 164.97 11.32 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.181 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 33.2 mmtp -76.15 143.84 40.93 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.578 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.441 ' HB ' HD23 ' A' ' 48' ' ' LEU . 93.3 t -79.11 116.64 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.894 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 171.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.8 p -80.65 174.06 11.99 Favored 'General case' 0 N--CA 1.415 -2.217 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.236 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.412 ' O ' HG13 ' A' ' 93' ' ' ILE . 46.2 mt-10 -59.37 -46.12 89.53 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.395 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' ' 94' ' ' GLU . 11.5 pt20 -60.58 -35.41 76.01 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 123.581 0.551 . . . . 0.0 110.598 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.69 -45.47 65.81 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.63 -39.9 89.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.539 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 93.6 mt -67.67 -37.4 78.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.928 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 61.7 mm-40 -62.3 -44.08 97.33 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.622 ' O ' HG23 ' A' ' 99' ' ' VAL . 82.5 mt -61.58 -51.06 77.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.542 176.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 41.6 tp -51.88 -39.05 58.36 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 124.106 0.962 . . . . 0.0 111.315 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 99.4 mttt -58.83 -48.33 81.72 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.632 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.574 ' O ' ' HB ' ' A' ' 103' ' ' THR 0.326 0.0 OUTLIER -74.88 -23.63 58.42 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 119.609 -0.836 . . . . 0.0 112.78 -176.739 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 95' ' ' ILE . 2.9 t -93.82 -7.7 10.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.021 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.173 -176.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.5 p -47.11 -45.13 21.97 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.673 1.189 . . . . 0.0 114.114 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -92.85 -71.77 0.63 Allowed 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 173.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -177.15 104.73 0.05 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.111 0.964 . . . . 0.0 110.885 175.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.574 ' HB ' ' O ' ' A' ' 98' ' ' LYS . 91.2 m -151.85 79.57 1.26 Allowed 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 174.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.76 -10.05 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.019 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -80.71 88.9 5.74 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.0 t -88.81 157.19 18.55 Favored 'General case' 0 N--CA 1.416 -2.132 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.7 m -79.31 76.37 5.87 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-O 121.946 0.879 . . . . 0.0 110.133 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 58.7 m -164.94 146.0 7.61 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.2 m -82.91 96.44 3.86 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-O 121.827 0.822 . . . . 0.0 110.441 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -92.95 144.19 25.5 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.64 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -83.01 168.32 17.08 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.258 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 . . . . . 0 C--N 1.306 -1.289 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 -178.5 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.676 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.545 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 19.6 m -62.13 114.94 3.71 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 122.796 0.438 . . . . 0.0 110.411 177.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.86 -48.94 63.78 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 124.263 1.025 . . . . 0.0 112.85 -175.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -68.07 -34.51 76.57 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.402 -176.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -70.75 -49.87 42.17 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 1' ' ' SER . 64.9 mm-40 -56.97 -45.58 82.81 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.077 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.06 -54.13 47.01 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.087 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -65.74 -38.94 90.51 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.65 90.93 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.913 0.387 . . . . 0.0 110.598 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.22 -48.3 36.2 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.063 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -63.67 -40.26 96.39 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -175.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -64.89 -30.24 71.22 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.913 0.387 . . . . 0.0 111.734 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -74.67 -49.68 20.42 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -58.86 -34.81 72.02 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.802 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.89 -39.22 72.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.131 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.95 93.13 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.286 0.565 . . . . 0.0 109.871 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -57.31 -49.5 75.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.591 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -66.36 -46.61 76.15 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.187 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -47.83 -49.46 29.07 Favored 'General case' 0 C--O 1.245 0.864 0 O-C-N 124.758 1.286 . . . . 0.0 109.72 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 169.44 120.45 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 124.544 1.152 . . . . 0.0 111.075 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -85.75 -46.84 10.31 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 170.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 168.87 -25.85 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 114.177 -1.374 . . . . 0.0 109.149 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.22 -5.7 49.89 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-N 115.701 -0.681 . . . . 0.0 114.255 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -99.2 127.99 33.17 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 176.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.93 -18.59 46.68 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.518 2.145 . . . . 0.0 113.832 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.05 21.61 78.9 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 -176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 17.5 t70 -74.51 -37.71 63.04 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -176.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.67 -29.4 69.4 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.732 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.0 78.06 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.395 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.438 ' HG2' ' HA ' ' A' ' 26' ' ' ASP . 12.8 pt20 -71.45 -37.56 71.37 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.372 178.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 26' ' ' ASP . 79.7 mt-30 -58.52 -46.33 86.99 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 176.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.09 -51.6 67.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.344 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.97 92.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.068 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -69.21 -33.59 73.56 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.387 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -63.26 -38.78 92.49 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -64.79 -40.32 95.04 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 24.3 mt-10 -62.68 -47.48 83.48 Favored 'General case' 0 C--O 1.189 -2.122 0 O-C-N 123.628 0.58 . . . . 0.0 110.875 176.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.63 -53.54 18.16 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.701 0.8 . . . . 0.0 111.993 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.49 -37.12 86.44 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 84.8 mtp -74.29 -41.08 61.77 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.051 0.453 . . . . 0.0 111.62 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 15.9 mmt180 -63.71 -45.67 88.93 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -56.83 -35.25 68.61 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.933 -175.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -55.79 -51.21 68.24 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 123.04 0.213 . . . . 0.0 111.121 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.55 HD13 ' H ' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -78.51 -44.52 26.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 174.581 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.5 mt -59.4 -42.45 91.77 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -173.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.17 -18.57 62.48 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 120.741 0.305 . . . . 0.0 111.6 -176.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -84.89 -26.63 27.18 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 120.723 0.297 . . . . 0.0 111.457 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.5 m -95.97 -41.68 11.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.512 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.3 mt -79.67 125.76 30.05 Favored 'General case' 0 CA--C 1.492 -1.265 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 6.2 t70 -76.98 179.93 5.91 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 176.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -48.52 -50.36 32.24 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -169.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 m -81.32 -22.19 38.69 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-O 121.138 0.494 . . . . 0.0 111.111 -173.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.35 -35.39 79.27 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.462 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -31.4 66.32 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 118.962 -1.095 . . . . 0.0 110.625 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.14 76.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.461 ' HD2' ' OE1' ' A' ' 89' ' ' GLU . 5.0 tpm_? -55.7 -46.42 77.66 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.311 1.044 . . . . 0.0 109.708 175.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.32 -47.05 85.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.235 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 25.7 t -63.33 -40.08 96.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.08 0.467 . . . . 0.0 109.985 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -64.35 -44.03 92.73 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -40.53 97.5 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.244 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.57 -33.7 73.09 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.866 0.866 . . . . 0.0 111.92 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 57' ' ' SER . 97.9 mt -73.38 -44.59 58.25 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.739 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.3 m -75.22 -59.72 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -135.77 92.11 17.16 Favored Pre-proline 0 CA--C 1.51 -0.558 0 CA-C-N 118.673 0.67 . . . . 0.0 109.85 178.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.12 -13.02 35.3 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 123.299 2.666 . . . . 0.0 112.922 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.33 -38.58 81.66 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 121.387 0.613 . . . . 0.0 109.829 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -79.48 -30.48 42.06 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.619 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.505 ' HA ' HG22 ' A' ' 70' ' ' VAL . 1.9 m -62.25 -40.73 97.18 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -53.46 -45.66 69.63 Favored 'General case' 0 C--O 1.246 0.913 0 C-N-CA 124.209 1.004 . . . . 0.0 109.98 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.22 -51.12 33.29 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.565 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 67' ' ' THR . 35.3 m -63.53 -39.61 85.96 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.611 ' O ' HG12 ' A' ' 75' ' ' ILE . 42.4 mt-10 -54.64 -53.1 59.15 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -56.8 -48.17 78.58 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.795 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -65.35 -42.16 93.1 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.298 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.22 -40.51 94.19 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 121.35 -0.14 . . . . 0.0 111.362 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 71' ' ' GLU . 44.5 mm -61.1 -45.76 97.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 177.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.407 ' O ' ' HD2' ' A' ' 80' ' ' TYR . 7.0 tp60 -62.59 -46.83 86.52 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.573 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.45 ' HG3' ' HG3' ' A' ' 82' ' ' GLN . 55.0 ttm -59.07 -46.18 88.92 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.65 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.18 -37.32 84.84 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.756 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.34 -28.9 68.36 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.407 ' HD2' ' O ' ' A' ' 76' ' ' GLN . 77.6 m-85 -86.71 -20.35 27.85 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.327 177.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.63 22.56 78.65 Favored Glycine 0 CA--C 1.507 -0.457 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.45 ' HG3' ' HG3' ' A' ' 77' ' ' MET . 4.0 pt20 -82.83 27.9 0.52 Allowed 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 123.543 0.737 . . . . 0.0 111.035 -176.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.64 145.88 38.54 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.938 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 34.9 m -145.58 93.41 2.35 Favored 'General case' 0 C--N 1.28 -2.434 0 N-CA-C 105.325 -2.102 . . . . 0.0 105.325 176.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 84' ' ' SER . 9.7 tp10 79.3 164.57 0.2 Allowed 'General case' 0 C--O 1.244 0.813 0 O-C-N 124.892 1.37 . . . . 0.0 109.497 -174.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 33.5 mmtp -64.95 146.57 54.81 Favored 'General case' 0 N--CA 1.42 -1.934 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.285 175.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.3 t -83.11 111.2 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.136 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 172.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 p -93.84 -170.66 2.38 Favored 'General case' 0 C--N 1.283 -2.29 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.461 ' OE1' ' HD2' ' A' ' 55' ' ' ARG . 42.7 mt-10 -62.67 -37.28 85.78 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 174.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -61.21 -50.27 73.8 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.55 0.531 . . . . 0.0 109.675 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.18 -42.82 99.73 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.453 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.8 tp -67.86 -38.87 83.67 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 122.807 -0.231 . . . . 0.0 110.492 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.62 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 78.4 mt -65.3 -36.77 78.5 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 177.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -62.52 -46.99 85.87 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.471 ' HA ' ' HD3' ' A' ' 98' ' ' LYS . 98.3 mt -63.99 -37.35 79.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.098 0.475 . . . . 0.0 110.298 176.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.56 -41.62 97.64 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.831 176.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.62 ' HG2' ' O ' ' A' ' 93' ' ' ILE . 34.3 mmtp -61.68 -46.32 90.22 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.471 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 28.9 mtpp -54.73 -46.27 74.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.285 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.9 m -82.28 -19.03 10.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.4 m -86.67 -54.9 4.12 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 121.608 -0.683 . . . . 0.0 112.016 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -69.48 -55.24 10.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.104 -173.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -100.14 -25.26 14.34 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.834 -177.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 49.1 m 65.24 73.49 0.41 Allowed 'General case' 0 N--CA 1.432 -1.34 0 C-N-CA 124.15 0.98 . . . . 0.0 109.017 -171.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -91.81 109.18 20.5 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.003 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -155.56 159.92 40.08 Favored 'General case' 0 C--N 1.287 -2.13 0 N-CA-C 103.79 -2.671 . . . . 0.0 103.79 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.5 m -71.8 85.83 0.94 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 121.734 0.778 . . . . 0.0 109.508 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 58.9 m -158.41 134.28 9.05 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -157.09 158.3 36.14 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 38.8 t -112.76 -45.14 5.07 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -136.11 130.88 34.03 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.027 -177.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -90.92 -46.38 8.21 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 171.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.31 -1.135 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 177.237 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.637 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.2 m -149.76 112.07 4.68 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.97 -40.56 61.08 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.264 1.025 . . . . 0.0 113.039 -175.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.22 -36.76 85.16 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-O 121.497 0.665 . . . . 0.0 111.569 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -78.83 -52.45 8.32 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.049 -176.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.02 -28.85 70.38 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tt -57.88 -49.14 77.73 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -78.44 -40.37 35.96 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.063 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.42 -52.28 65.88 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.399 0.437 . . . . 0.0 111.644 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.36 -50.27 72.25 Favored 'General case' 0 CA--C 1.5 -0.97 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.454 HH22 ' CG ' ' A' ' 23' ' ' ASP . 36.5 ttt180 -63.65 -42.67 98.08 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 120.364 -0.535 . . . . 0.0 112.042 -175.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -47.8 82.53 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.623 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 49.1 tt0 -61.91 -47.61 84.16 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.523 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -56.2 -42.63 77.48 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.176 0.99 . . . . 0.0 111.214 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.85 -41.31 95.8 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.869 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' A' ' 19' ' ' ALA . . . -65.69 -41.74 92.04 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.068 0.855 . . . . 0.0 110.795 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 55.7 mm-40 -54.78 -46.81 74.49 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 124.274 1.03 . . . . 0.0 110.754 177.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HG2' ' A' ' 18' ' ' GLN . 3.1 tm? -66.75 -58.66 4.63 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.817 -178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.423 ' HG2' HD13 ' A' ' 17' ' ' LEU . 51.0 mm-40 -157.53 -26.55 0.09 Allowed 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.466 ' HB2' ' HA ' ' A' ' 15' ' ' ALA . . . 81.95 108.26 0.06 Allowed 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 125.312 1.445 . . . . 0.0 111.726 -177.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -161.64 150.34 15.67 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 177.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -139.32 19.31 2.57 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.8 58.55 5.01 Favored Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.273 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' CG ' HH22 ' A' ' 10' ' ' ARG . 1.8 p-10 -149.13 123.26 4.69 Favored Pre-proline 0 C--N 1.303 -1.438 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 176.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -93.91 20.91 0.63 Allowed 'Trans proline' 0 N--CA 1.444 -1.395 0 C-N-CA 122.218 1.945 . . . . 0.0 110.423 173.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.98 -57.6 0.42 Allowed Glycine 0 N--CA 1.439 -1.132 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.186 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -61.86 -31.67 71.95 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.73 -43.86 78.96 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.495 0.188 . . . . 0.0 111.377 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.84 -43.34 93.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.056 -175.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -65.1 -38.22 90.0 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.581 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -68.27 -35.61 78.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.18 0.514 . . . . 0.0 110.838 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -69.74 -32.71 71.4 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.954 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.77 77.49 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.755 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -69.06 -26.12 64.8 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.019 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.402 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 60.9 t-80 -65.72 -51.61 57.9 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 176.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -68.6 -23.93 64.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.53 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -54.04 -47.87 71.13 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.466 1.106 . . . . 0.0 108.915 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.53 -43.39 63.59 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.49 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 34' ' ' HIS . 42.6 mt-10 -57.02 -49.53 75.5 Favored 'General case' 0 C--O 1.2 -1.507 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -175.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 93.7 mmm -62.02 -39.5 92.51 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -175.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.4 ttp-105 -69.8 -42.35 73.85 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 121.296 0.57 . . . . 0.0 109.833 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -64.19 -38.92 92.78 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.963 178.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.496 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 69.6 m -59.51 -45.75 90.83 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 123.568 0.747 . . . . 0.0 111.933 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.404 ' O ' HG22 ' A' ' 47' ' ' VAL . 26.5 pt -66.52 -38.39 81.58 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.299 0 C-N-CA 119.121 -1.032 . . . . 0.0 110.398 -178.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.03 -42.23 94.53 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.049 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.43 -18.93 64.54 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 71.8 mm-40 -97.32 -38.06 9.8 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 120.971 -0.291 . . . . 0.0 111.727 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 43' ' ' ILE . 22.8 m -80.6 -25.45 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.828 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.513 -178.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -106.29 130.46 54.13 Favored 'General case' 0 N--CA 1.416 -2.132 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.87 156.73 32.5 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 174.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -52.72 -36.45 57.5 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 123.84 0.856 . . . . 0.0 113.001 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.5 m -73.65 -29.67 62.47 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-O 121.289 0.566 . . . . 0.0 110.269 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.94 -35.42 62.14 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -60.05 -39.69 86.83 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.344 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.87 -44.32 70.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.098 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 55' ' ' ARG . 8.8 tpt180 -56.44 -47.55 78.88 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.881 0.872 . . . . 0.0 109.91 178.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 tp -56.95 -47.09 81.5 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.09 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.456 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 49.0 m -62.11 -42.85 99.64 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.702 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -62.91 -38.34 90.6 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.141 0.496 . . . . 0.0 110.164 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.57 -39.3 91.51 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.533 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -62.24 -29.31 70.31 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.464 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 57' ' ' SER . 98.1 mt -77.38 -26.34 51.74 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.29 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 m -93.75 -45.46 13.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.765 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -161.3 102.34 1.23 Allowed Pre-proline 0 C--O 1.243 0.712 0 CA-C-O 121.51 0.672 . . . . 0.0 112.159 173.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.487 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 48.7 Cg_endo -67.06 -8.53 22.06 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.539 2.826 . . . . 0.0 114.078 -176.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -44.36 95.0 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -77.28 -29.2 53.73 Favored 'General case' 0 C--N 1.309 -1.163 0 C-N-CA 119.676 -0.81 . . . . 0.0 109.817 -177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.533 HG21 ' HB2' ' A' ' 60' ' ' ALA . 7.1 m -61.28 -51.13 70.21 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.585 177.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -62.78 -31.16 72.07 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.665 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.64 -51.18 53.09 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.356 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.412 HG12 HG22 ' A' ' 95' ' ' ILE . 30.4 m -65.74 -39.16 84.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.892 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 75' ' ' ILE . 55.9 mt-10 -63.36 -51.84 64.22 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 121.289 -0.164 . . . . 0.0 110.65 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -55.65 -43.65 76.45 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 123.653 0.595 . . . . 0.0 110.145 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -60.26 -51.7 68.43 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.538 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.94 -42.61 99.31 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 71' ' ' GLU . 72.0 mt -52.93 -49.08 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-O 121.227 0.537 . . . . 0.0 110.296 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.492 ' O ' ' HD1' ' A' ' 80' ' ' TYR . 23.9 mt-30 -73.9 -51.2 16.9 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.293 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.5 ttt -59.29 -39.94 84.58 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 123.368 0.667 . . . . 0.0 111.375 -174.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.49 -39.42 91.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.567 0.222 . . . . 0.0 111.242 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -68.74 -13.02 62.12 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.492 ' HD1' ' O ' ' A' ' 76' ' ' GLN . 45.3 m-85 -95.81 8.36 43.75 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.184 0.516 . . . . 0.0 110.741 175.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.57 4.07 89.35 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.665 -0.698 . . . . 0.0 113.163 176.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -72.58 -23.85 61.02 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.707 -0.29 . . . . 0.0 111.484 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.435 ' HA ' HD13 ' A' ' 83' ' ' LEU . 3.2 mm? -112.29 113.43 25.64 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-O 121.257 0.551 . . . . 0.0 111.975 175.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.4 t -126.71 5.5 6.72 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -125.57 167.15 15.46 Favored 'General case' 0 N--CA 1.435 -1.222 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 46.1 mtmt -92.72 134.42 35.06 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-O 120.962 0.41 . . . . 0.0 110.082 175.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.4 t -87.07 117.65 31.63 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.236 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.2 m -86.06 -179.8 6.83 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.518 ' O ' HG13 ' A' ' 93' ' ' ILE . 46.2 mt-10 -56.03 -48.53 75.8 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 118.301 0.5 . . . . 0.0 111.625 -178.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -59.43 -34.86 73.01 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.722 0.639 . . . . 0.0 111.297 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.64 -34.85 52.84 Favored Glycine 0 N--CA 1.44 -1.052 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.7 tp -74.03 -27.76 61.09 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 89' ' ' GLU . 97.4 mt -64.93 -31.45 53.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.3 -42.38 99.03 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.503 ' O ' ' HB2' ' A' ' 98' ' ' LYS . 29.5 mm -69.15 -39.64 79.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.617 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.2 tp -64.81 -42.17 95.21 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.208 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -62.85 -37.1 85.49 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.53 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.579 ' HB3' ' HA ' ' A' ' 104' ' ' GLU . 94.9 mttt -56.78 -58.18 9.25 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 121.466 0.651 . . . . 0.0 111.109 176.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.38 -21.05 19.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.037 -0.983 . . . . 0.0 113.133 -172.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.0 p -83.63 -19.53 35.28 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -177.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -105.15 -38.88 6.4 Favored 'General case' 0 C--N 1.311 -1.081 0 C-N-CA 119.088 -1.045 . . . . 0.0 111.811 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -132.7 -91.24 0.39 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.26 0.553 . . . . 0.0 110.422 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 55.4 m -160.95 -56.02 0.05 Allowed 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 98' ' ' LYS . 11.2 pt-20 -151.26 164.34 36.84 Favored 'General case' 0 N--CA 1.415 -2.218 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 171.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -143.31 143.55 31.74 Favored 'General case' 0 N--CA 1.422 -1.83 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.3 t -88.87 99.94 12.79 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 174.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.6 m -54.14 118.77 4.32 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.991 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.0 m -124.5 82.22 2.02 Favored 'General case' 0 N--CA 1.424 -1.747 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.5 p -115.55 -20.42 5.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.497 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.5 tttt 61.33 70.68 0.59 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.379 -177.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -149.01 145.61 27.38 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 106.166 -1.791 . . . . 0.0 106.166 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 18.1 m120 . . . . . 0 C--N 1.3 -1.574 0 CA-C-O 119.349 -0.358 . . . . 0.0 111.163 -175.875 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.57 0 N-CA-C 112.218 -0.353 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m -73.19 152.77 40.96 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.01 -51.82 62.75 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 123.452 0.701 . . . . 0.0 112.838 -176.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -65.15 -40.18 94.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.952 0.882 . . . . 0.0 110.028 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.8 -52.16 64.25 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 113.622 -1.626 . . . . 0.0 110.638 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.604 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 11.9 pt-20 -67.32 -39.4 85.85 Favored 'General case' 0 C--O 1.207 -1.182 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.508 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.85 -39.61 94.91 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 122.181 0.192 . . . . 0.0 111.207 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.94 -45.01 94.49 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.611 0.72 . . . . 0.0 109.347 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.78 90.93 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.731 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 78.7 mt -61.8 -43.53 98.67 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 123.235 0.614 . . . . 0.0 111.646 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -58.91 -43.47 91.08 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-O 121.108 0.48 . . . . 0.0 110.419 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -64.55 -41.51 96.28 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.724 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.52 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 8.6 tt0 -64.85 -46.85 80.15 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.901 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.87 -38.75 70.54 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.464 0.706 . . . . 0.0 110.01 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -65.04 -33.4 75.95 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.083 0.468 . . . . 0.0 110.833 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.29 -40.82 35.76 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.353 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 34.1 mt-10 -63.63 -39.82 95.33 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-O 121.506 0.669 . . . . 0.0 110.361 178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.23 -35.08 66.94 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.764 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 58.67 77.54 0.29 Allowed 'General case' 0 C--O 1.247 0.967 0 O-C-N 124.277 0.986 . . . . 0.0 108.694 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.745 ' HB1' ' HB2' ' A' ' 26' ' ' ASP . . . -53.36 114.83 1.63 Allowed 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 113.956 -1.474 . . . . 0.0 111.568 -176.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -92.98 149.96 20.87 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 114.673 -1.149 . . . . 0.0 109.693 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -72.87 79.32 1.15 Allowed 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 123.051 1.405 . . . . 0.0 111.001 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.07 46.49 0.02 OUTLIER Glycine 0 N--CA 1.43 -1.745 0 N-CA-C 106.671 -2.571 . . . . 0.0 106.671 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -149.41 138.38 12.46 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.27 -32.6 88.54 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 122.851 2.368 . . . . 0.0 112.625 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.05 -15.69 81.41 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.397 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.745 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . 13.3 t70 -104.09 -63.71 1.17 Allowed 'General case' 0 CA--C 1.493 -1.245 0 O-C-N 122.837 -0.213 . . . . 0.0 111.156 178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.08 85.73 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -171.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.46 -45.71 61.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.361 0.6 . . . . 0.0 110.483 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -69.87 -36.46 75.51 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.102 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.686 HE21 ' HA ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -65.07 -39.53 93.39 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.305 -179.267 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.653 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 36.8 tt0 -57.7 -54.73 43.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 123.533 0.521 . . . . 0.0 110.106 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.07 84.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.562 -177.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -73.05 -32.69 65.22 Favored 'General case' 0 C--O 1.248 0.99 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.39 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -74.33 -30.67 62.13 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.933 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.653 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 77.8 mtp180 -62.94 -36.88 84.89 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 176.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -62.41 -48.75 78.32 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.392 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.19 -53.55 8.1 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.105 -177.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.78 -46.37 85.54 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -172.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 56.0 ttp -66.96 -33.24 75.16 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.162 0.506 . . . . 0.0 110.943 -176.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -74.02 -46.21 44.89 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.738 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.34 -47.87 53.82 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.537 -0.756 . . . . 0.0 113.001 -176.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.459 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 49.1 m -59.62 -26.55 65.57 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -172.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.524 HG13 HD12 ' A' ' 44' ' ' LEU . 18.5 pt -71.35 -38.1 67.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 C-N-CA 118.758 -1.177 . . . . 0.0 111.252 177.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.524 HD12 HG13 ' A' ' 43' ' ' ILE . 5.7 mp -79.64 -31.08 41.52 Favored 'General case' 0 C--O 1.206 -1.204 0 C-N-CA 119.637 -0.825 . . . . 0.0 109.885 176.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 42' ' ' SER . . . -70.48 -22.54 62.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -84.88 -34.02 22.69 Favored 'General case' 0 CA--C 1.506 -0.738 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.328 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.59 HG11 HD12 ' A' ' 74' ' ' LEU . 15.6 t -79.67 -41.23 21.84 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.519 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.5 mt -101.65 120.32 40.14 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 120.725 0.298 . . . . 0.0 110.411 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -64.48 161.4 17.31 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 172.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -49.9 -32.64 15.07 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 123.929 0.892 . . . . 0.0 111.746 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.9 p -65.05 -47.29 77.9 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.102 0.477 . . . . 0.0 110.081 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.5 -35.52 75.61 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.043 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -62.23 -43.91 97.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.846 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.32 -40.18 81.75 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.11 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.528 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 6.4 tpt180 -64.38 -37.53 87.83 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.7 tp -58.25 -41.06 83.37 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 123.837 0.855 . . . . 0.0 110.063 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.457 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 24.8 t -66.37 -28.68 68.83 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -64.57 -46.96 80.49 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.79 -39.1 93.43 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.658 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -64.7 -22.91 67.09 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 122.959 0.504 . . . . 0.0 112.265 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 57' ' ' SER . 95.1 mt -91.83 -15.79 27.7 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 120.817 0.342 . . . . 0.0 110.654 -178.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.9 p -108.61 -47.38 7.43 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 112.154 0.428 . . . . 0.0 112.154 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -141.1 85.62 12.01 Favored Pre-proline 0 C--O 1.245 0.831 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.92 -17.1 58.47 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.858 2.372 . . . . 0.0 113.397 -174.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -71.2 -38.4 72.08 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -74.62 -29.84 61.44 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 6.1 m -64.28 -44.85 90.39 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 174.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -63.21 -39.57 95.0 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.088 -177.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.56 -47.79 80.09 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.799 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -69.03 -36.26 72.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.673 0 C-N-CA 119.466 -0.893 . . . . 0.0 111.078 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.463 ' O ' HG13 ' A' ' 75' ' ' ILE . 40.0 mt-10 -54.25 -51.1 65.59 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 176.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 23.6 t-20 -56.78 -46.6 81.42 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.027 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -62.31 -48.87 77.97 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.399 -178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.59 HD12 HG11 ' A' ' 47' ' ' VAL . 2.8 mm? -63.39 -37.28 86.67 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 71' ' ' GLU . 78.7 mt -59.1 -44.68 92.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 CA-C-O 120.86 0.362 . . . . 0.0 110.165 177.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 12.2 mm100 -68.48 -43.68 76.42 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.465 0.65 . . . . 0.0 109.6 178.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.3 tpt -58.42 -46.13 87.07 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 125.495 1.518 . . . . 0.0 110.477 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.58 88.05 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.121 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 79' ' ' ARG . 45.3 ttm180 -67.51 -38.35 84.18 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.314 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.421 ' HB3' ' HE3' ' A' ' 110' ' ' LYS . 24.8 m-85 -75.34 -15.44 60.48 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.618 -177.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.27 59.71 1.72 Allowed Glycine 0 N--CA 1.436 -1.338 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.124 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.452 ' CD ' ' HG2' ' A' ' 110' ' ' LYS . 14.8 mm100 -111.24 21.18 16.59 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.531 0.681 . . . . 0.0 110.861 178.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.76 96.88 7.08 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.704 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 m -75.1 -57.09 4.11 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 170.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -169.98 -168.58 0.77 Allowed 'General case' 0 N--CA 1.427 -1.579 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -73.24 121.76 20.87 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 123.645 0.59 . . . . 0.0 110.146 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.426 ' CG1' ' HA3' ' A' ' 91' ' ' GLY . 50.4 t -84.28 137.52 20.74 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.963 0 C-N-CA 124.239 1.016 . . . . 0.0 108.461 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.0 m -87.48 -170.58 3.09 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.135 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.604 ' O ' HG12 ' A' ' 93' ' ' ILE . 38.0 mt-10 -56.99 -48.07 79.3 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 123.346 0.658 . . . . 0.0 111.269 -175.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -57.39 -41.18 79.76 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 123.313 0.645 . . . . 0.0 112.287 -175.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.426 ' HA3' ' CG1' ' A' ' 87' ' ' VAL . . . -63.94 -38.41 96.03 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.215 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.3 tp -68.17 -35.68 78.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.604 HG12 ' O ' ' A' ' 89' ' ' GLU . 23.5 mm -62.58 -41.58 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.88 -36.38 84.16 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.602 177.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 77.7 mt -68.74 -36.14 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 45.0 tp -62.15 -38.76 90.25 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.772 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -58.66 -47.86 83.02 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.696 ' HB3' ' O ' ' A' ' 103' ' ' THR . 93.7 mttt -53.28 -52.07 60.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.987 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.1 m -74.44 -22.19 17.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.255 -175.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.6 m -74.46 -31.51 62.26 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 121.326 0.584 . . . . 0.0 109.862 172.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -73.68 -65.71 0.79 Allowed 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -150.06 -72.16 0.18 Allowed 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.696 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 92.3 m -177.05 -61.9 0.01 OUTLIER 'General case' 0 C--O 1.203 -1.35 0 N-CA-C 102.709 -3.071 . . . . 0.0 102.709 177.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 158.05 153.33 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 127.62 2.368 . . . . 0.0 106.292 171.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -107.29 93.35 4.5 Favored 'General case' 0 C--N 1.28 -2.43 0 N-CA-C 104.52 -2.4 . . . . 0.0 104.52 169.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.1 m -53.92 99.69 0.03 OUTLIER 'General case' 0 N--CA 1.428 -1.548 0 O-C-N 124.359 1.037 . . . . 0.0 111.925 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.7 m -130.62 96.13 4.03 Favored 'General case' 0 N--CA 1.415 -2.205 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.4 m 61.31 70.02 0.63 Allowed 'General case' 0 CA--C 1.558 1.256 0 O-C-N 124.169 0.918 . . . . 0.0 110.196 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.1 t -126.4 -41.86 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.351 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.452 ' HG2' ' CD ' ' A' ' 82' ' ' GLN . 10.1 tmtt? -94.54 97.8 10.39 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 -176.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -93.11 -24.41 18.28 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.257 -174.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 44.3 t30 . . . . . 0 C--N 1.321 -0.659 0 O-C-N 123.868 0.73 . . . . 0.0 110.614 -179.041 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.001 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 13.8 m -70.89 168.44 16.87 Favored 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 123.359 0.664 . . . . 0.0 110.471 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.2 -35.84 72.22 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 123.284 0.633 . . . . 0.0 111.58 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -70.81 -44.09 67.28 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.117 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -57.19 -42.54 81.39 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.659 0.784 . . . . 0.0 111.246 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 1' ' ' SER . 9.9 mm-40 -70.02 -49.98 45.95 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.122 0.487 . . . . 0.0 110.437 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.8 -43.88 94.23 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.555 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -65.7 -39.97 91.79 Favored 'General case' 0 C--O 1.183 -2.447 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.821 -177.616 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.27 96.02 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 120.984 0.421 . . . . 0.0 111.25 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.29 -53.21 31.82 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.418 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 40.8 ttt180 -58.07 -48.89 78.75 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 123.568 0.747 . . . . 0.0 111.158 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' GLU . 65.6 ttt180 -56.78 -47.58 79.84 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 125.3 1.44 . . . . 0.0 110.889 -178.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 32.9 tt0 -64.8 -39.34 93.43 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.256 178.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -69.56 -32.75 71.72 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.791 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 10' ' ' ARG . 80.3 mt -67.83 -32.45 73.0 Favored 'General case' 0 N--CA 1.425 -1.684 0 C-N-CA 123.163 0.585 . . . . 0.0 110.839 175.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.2 94.54 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.125 0.488 . . . . 0.0 110.152 175.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 17.7 mt-10 -71.27 -33.68 70.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 122.053 0.93 . . . . 0.0 109.737 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.25 -20.72 61.49 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.507 -1.224 . . . . 0.0 107.703 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 70.79 29.12 3.23 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 125.254 1.422 . . . . 0.0 109.8 -178.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.57 157.24 16.62 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.09 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -77.67 150.4 34.55 Favored 'General case' 0 N--CA 1.427 -1.579 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 87.17 -1.55 0.57 Allowed 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 126.395 1.878 . . . . 0.0 110.434 -172.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -110.04 43.85 1.63 Allowed Glycine 0 N--CA 1.427 -1.945 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.225 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.25 148.73 71.49 Favored Pre-proline 0 C--N 1.307 -1.259 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -91.54 19.58 1.03 Allowed 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 121.943 1.762 . . . . 0.0 112.118 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.29 -75.35 0.15 Allowed Glycine 0 C--N 1.349 1.277 0 C-N-CA 124.539 1.066 . . . . 0.0 115.57 -173.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -51.0 -52.93 37.87 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -176.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.05 81.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.972 -176.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.75 -51.52 12.49 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.855 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -63.05 -31.68 72.88 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -174.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -71.0 -41.01 71.5 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.939 -0.305 . . . . 0.0 110.934 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 40.6 tt0 -69.03 -46.99 66.54 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 176.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -56.32 -44.71 80.23 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.535 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.494 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -63.1 -37.88 88.97 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 122.776 0.43 . . . . 0.0 110.734 178.751 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -69.12 -35.94 76.97 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.22 -0.592 . . . . 0.0 109.929 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 81.9 mtp180 -70.41 -28.93 65.46 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.734 177.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 48.9 mm-40 -68.34 -42.14 79.73 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.934 175.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.52 73.91 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.646 -178.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -79.56 -51.12 9.7 Favored 'General case' 0 N--CA 1.432 -1.326 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.966 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -85.38 -47.02 10.4 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -174.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -71.17 -26.89 63.17 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 -171.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -57.54 -31.2 65.85 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.537 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.1 m -60.32 -37.83 81.82 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.91 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.494 ' O ' HG23 ' A' ' 47' ' ' VAL . 20.3 pt -76.78 -38.75 30.21 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 C-N-CA 118.942 -1.103 . . . . 0.0 109.681 176.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.5 -33.81 74.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.726 -176.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.76 -34.02 77.21 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.061 176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -98.21 -19.74 17.68 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 43' ' ' ILE . 83.5 t -72.32 -41.75 65.58 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.958 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.576 HD12 HH11 ' A' ' 53' ' ' ARG . 87.8 mt -87.57 134.8 33.57 Favored 'General case' 0 N--CA 1.407 -2.591 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -62.72 147.01 50.95 Favored 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 172.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -47.93 -37.85 15.29 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.532 0.733 . . . . 0.0 112.486 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -65.55 -39.86 92.21 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 121.345 0.593 . . . . 0.0 109.794 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.39 -35.77 60.99 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.422 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.576 HH11 HD12 ' A' ' 48' ' ' LEU . 19.8 tpt180 -66.64 -40.7 88.82 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.81 -41.78 96.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.138 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -61.47 -39.38 90.7 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.534 0.734 . . . . 0.0 110.44 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.7 tp -73.0 -29.57 63.13 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.046 0.45 . . . . 0.0 111.261 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.0 m -67.49 -37.6 83.09 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 122.125 0.964 . . . . 0.0 109.244 176.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -65.45 -37.81 87.99 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.121 -1.4 . . . . 0.0 108.899 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.0 -40.39 87.32 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.39 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.77 -28.47 70.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.12 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.67 -42.18 82.54 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.922 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.54 -48.78 17.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.453 ' HE2' ' HG3' ' A' ' 66' ' ' LYS . 22.2 pttm -159.43 104.8 1.5 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 121.291 0.567 . . . . 0.0 112.506 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -71.05 -9.32 25.39 Favored 'Trans proline' 0 C--O 1.241 0.631 0 C-N-CA 123.668 2.912 . . . . 0.0 114.76 -174.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.61 -32.38 62.31 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 119.152 -1.019 . . . . 0.0 110.554 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.453 ' HG3' ' HE2' ' A' ' 63' ' ' LYS . 25.8 mmmt -78.84 -29.89 44.9 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.3 m -60.95 -51.33 69.74 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.153 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -63.99 -30.53 71.6 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.823 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.89 -51.41 62.13 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 123.635 0.585 . . . . 0.0 110.405 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.3 m -69.66 -37.52 74.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.63 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.509 ' O ' HG13 ' A' ' 75' ' ' ILE . 42.0 mt-10 -60.77 -41.83 96.29 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.008 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -66.02 -36.34 83.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.671 0.748 . . . . 0.0 109.185 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -67.2 -44.21 80.14 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.617 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.75 -37.9 80.26 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 71' ' ' GLU . 63.5 mt -54.91 -44.67 74.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' A' ' 79' ' ' ARG . 64.4 mt-30 -75.64 -45.65 36.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.179 -177.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.487 ' HG2' ' HB2' ' A' ' 82' ' ' GLN . 34.8 ttp -64.93 -40.73 95.48 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.376 -174.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.0 -36.02 82.16 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.127 0.489 . . . . 0.0 110.114 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 76' ' ' GLN . 73.1 ttt180 -58.89 -35.82 73.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.659 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -89.48 13.75 13.07 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.24 26.1 58.19 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.285 -0.959 . . . . 0.0 113.652 174.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.487 ' HB2' ' HG2' ' A' ' 77' ' ' MET . 16.1 mm100 -87.88 6.81 33.72 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.751 0.786 . . . . 0.0 109.77 176.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 85' ' ' GLU . 65.3 tp -110.59 91.18 3.55 Favored 'General case' 0 N--CA 1.418 -2.044 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.617 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.6 m -95.42 -24.69 16.57 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.405 ' O ' HD12 ' A' ' 83' ' ' LEU . 6.5 tp10 -159.92 161.64 34.32 Favored 'General case' 0 N--CA 1.427 -1.596 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -52.82 128.0 25.29 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 124.459 1.099 . . . . 0.0 111.223 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.42 116.2 5.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.8 m -78.32 176.67 9.1 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.146 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -51.32 -48.38 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 123.732 0.813 . . . . 0.0 111.486 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -62.97 -28.16 69.9 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.498 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -75.97 -40.14 31.13 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.4 tp -66.71 -47.28 72.86 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.426 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 88.5 mt -61.08 -30.9 48.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.752 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.18 -48.16 81.28 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.367 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 77.4 mt -69.45 -42.63 81.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.381 178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.1 tp -54.28 -46.4 72.69 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.651 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 10.1 mtmp? -60.24 -45.6 92.7 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . 0.314 0.0 OUTLIER -71.73 -29.48 64.58 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -179.306 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' A' ' 105' ' ' LYS . 22.6 m -82.75 -18.76 10.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 119.843 -0.743 . . . . 0.0 110.003 175.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.434 ' HA ' ' HE2' ' A' ' 66' ' ' LYS . 22.9 t -64.48 -48.93 73.37 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.5 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -82.45 -76.51 0.26 Allowed 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.758 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -168.58 113.85 0.62 Allowed 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.407 0.623 . . . . 0.0 112.594 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.4 m -163.96 -66.01 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 171.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.51 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 5.8 mm-40 -136.58 51.14 2.01 Favored 'General case' 0 C--O 1.21 -1.017 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 62.7 pttt -51.49 -28.62 13.88 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -170.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.0 t -155.4 24.51 0.41 Allowed 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.0 m 67.66 101.22 0.05 Allowed 'General case' 0 C--N 1.36 1.037 0 CA-C-N 113.378 -1.737 . . . . 0.0 107.481 -167.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.5 p -66.73 165.98 13.95 Favored 'General case' 0 C--O 1.255 1.343 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -170.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . 0.323 33.0 m 48.96 63.52 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.598 0 C-N-CA 125.842 1.657 . . . . 0.0 112.244 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.6 121.93 5.68 Favored 'General case' 0 N--CA 1.417 -2.114 0 CA-C-N 113.283 -1.781 . . . . 0.0 106.504 -176.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -114.58 120.92 41.83 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.927 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.3 t30 . . . . . 0 C--N 1.305 -1.357 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 178.074 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.211 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.9 m -79.86 104.37 10.39 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 176.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.05 -40.05 63.7 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.496 0.718 . . . . 0.0 112.391 -174.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -62.56 -44.42 96.39 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.987 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -72.43 -37.06 68.69 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.598 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.12 -37.19 84.18 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.887 0.375 . . . . 0.0 110.973 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.58 -49.5 74.99 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.704 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 20.3 mm-40 -59.3 -52.99 63.28 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.095 176.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.61 -48.49 66.28 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.683 0.793 . . . . 0.0 112.149 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.26 -43.9 92.44 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.098 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.2 mtp85 -73.34 -42.79 61.86 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.159 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 99.2 mtt180 -61.55 -38.23 86.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.884 0.374 . . . . 0.0 110.567 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.527 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 54.7 tt0 -58.95 -53.07 62.5 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.49 176.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 96.9 mtt180 -62.14 -39.48 92.72 Favored 'General case' 0 C--O 1.201 -1.48 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.705 -177.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.09 -34.92 75.7 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.236 0.541 . . . . 0.0 111.512 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.04 -31.98 64.78 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.223 0.535 . . . . 0.0 110.597 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 18.5 mm-40 -82.24 -36.15 27.45 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.44 0.638 . . . . 0.0 111.493 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.47 HD13 ' HA3' ' A' ' 22' ' ' GLY . 4.7 tt -66.97 -34.41 77.7 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 124.451 1.101 . . . . 0.0 111.296 -174.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 75.75 -60.15 0.5 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.609 1.164 . . . . 0.0 111.83 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.83 114.91 5.42 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.813 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -83.49 72.2 10.28 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-O 122.1 0.952 . . . . 0.0 111.379 -174.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -168.62 23.24 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 176.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.47 ' HA3' HD13 ' A' ' 17' ' ' LEU . . . -77.91 -3.2 83.97 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 114.043 -1.435 . . . . 0.0 114.657 -172.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -78.59 118.79 74.43 Favored Pre-proline 0 C--N 1.311 -1.088 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -106.08 23.76 0.09 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 122.768 2.312 . . . . 0.0 111.571 176.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.85 -42.27 99.51 Favored Glycine 0 CA--C 1.506 -0.5 0 N-CA-C 114.161 0.424 . . . . 0.0 114.161 -172.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.37 -40.89 34.92 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.12 0.486 . . . . 0.0 110.483 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.486 ' O ' ' HG2' ' A' ' 31' ' ' GLU . . . -59.25 -51.48 69.79 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.72 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.82 81.61 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.995 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.653 ' HA ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -67.02 -45.0 78.84 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.237 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -67.89 -42.88 80.5 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 123.479 0.487 . . . . 0.0 110.318 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 7.9 mm-40 -62.54 -47.46 83.77 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.318 0.386 . . . . 0.0 110.824 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -62.19 -45.68 92.28 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.618 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -67.54 -35.57 79.33 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 120.726 0.298 . . . . 0.0 111.609 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -67.5 -38.7 84.7 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -65.12 -36.37 84.06 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.517 0.727 . . . . 0.0 109.998 178.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 18.2 mm-40 -58.42 -54.29 48.73 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.529 0.68 . . . . 0.0 109.934 175.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.42 -43.63 96.92 Favored 'General case' 0 N--CA 1.431 -1.392 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -54.35 -49.74 69.07 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -59.66 -50.06 75.32 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 123.504 0.502 . . . . 0.0 110.577 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.468 ' NH1' ' HB3' ' A' ' 36' ' ' GLU . 54.7 mtt180 -70.91 -41.81 70.75 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.498 -175.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -67.13 -46.65 73.47 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.107 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -63.34 -35.26 79.8 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 111.428 0.159 . . . . 0.0 111.428 -176.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 47' ' ' VAL . 29.7 pt -75.84 -49.38 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.995 0 C-N-CA 118.812 -1.155 . . . . 0.0 111.102 176.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.93 -37.51 79.7 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.97 -19.51 60.07 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -97.39 -26.07 15.0 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.118 0.485 . . . . 0.0 111.289 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 78' ' ' ALA . 73.8 t -79.31 -44.94 24.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.972 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -91.04 124.38 35.23 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.24 152.89 42.57 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.2 tm0? -48.28 -36.63 14.46 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 123.903 0.752 . . . . 0.0 110.878 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.7 p -63.44 -48.26 78.48 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-O 120.815 0.34 . . . . 0.0 110.821 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.56 -36.38 68.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.513 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -62.2 -46.85 87.08 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.39 85.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.904 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 7.6 tpt180 -59.51 -47.08 86.92 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.4 tp -68.96 -28.4 66.59 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.401 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 56.2 m -64.0 -42.92 97.01 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.057 0.456 . . . . 0.0 110.626 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -72.15 -39.02 69.06 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -56.8 -39.62 74.45 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.434 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.429 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -60.42 -22.34 63.28 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.915 0.886 . . . . 0.0 112.367 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.5 mt -94.99 -44.03 7.88 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.653 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.5 m -74.04 -42.66 52.36 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -143.99 82.53 10.93 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-O 121.415 0.626 . . . . 0.0 111.733 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -64.22 -20.14 66.65 Favored 'Trans proline' 0 C--O 1.241 0.661 0 C-N-CA 123.806 3.004 . . . . 0.0 113.737 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 68' ' ' LYS . 1.4 tm-20 -69.34 -39.91 77.86 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -175.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -78.95 -29.98 44.32 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.001 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.429 HG21 ' HB2' ' A' ' 60' ' ' ALA . 2.2 m -60.83 -46.83 89.03 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.235 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 65' ' ' GLU . 65.2 pttt -59.56 -37.66 79.04 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.528 -177.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.18 -49.2 52.8 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.373 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -65.77 -41.63 90.67 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 C-N-CA 120.341 -0.543 . . . . 0.0 112.435 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.45 -39.03 92.05 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.739 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 21.2 t-20 -62.22 -42.64 99.49 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 176.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -60.86 -48.06 83.51 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.652 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.9 -37.22 86.08 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.535 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.2 mt -58.95 -47.3 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.515 ' O ' ' HB3' ' A' ' 79' ' ' ARG . 16.9 mm-40 -62.8 -45.68 91.52 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.994 0.425 . . . . 0.0 111.114 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.551 ' SD ' ' HB2' ' A' ' 82' ' ' GLN . 17.4 tmm? -66.48 -38.59 87.64 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.317 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -67.25 -38.16 84.7 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.096 0.474 . . . . 0.0 110.336 176.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.515 ' HB3' ' O ' ' A' ' 76' ' ' GLN . 75.4 ttt180 -57.21 -43.16 82.53 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 124.815 1.246 . . . . 0.0 110.526 177.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -80.94 -21.53 40.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.512 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.98 50.44 5.53 Favored Glycine 0 N--CA 1.436 -1.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.961 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.551 ' HB2' ' SD ' ' A' ' 77' ' ' MET . 12.5 mm100 -96.43 18.39 14.06 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.393 0.616 . . . . 0.0 109.473 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.42 HD11 HG13 ' A' ' 47' ' ' VAL . 4.4 mm? -73.75 121.51 20.93 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 115.181 -0.918 . . . . 0.0 113.296 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.8 m -106.26 -56.91 2.12 Favored 'General case' 0 N--CA 1.415 -2.18 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 170.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -136.07 -179.57 5.75 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 123.772 0.829 . . . . 0.0 109.292 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -73.08 139.96 46.86 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.89 125.94 36.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -87.2 178.69 6.81 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.594 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.673 ' O ' HG12 ' A' ' 93' ' ' ILE . 41.1 mt-10 -63.27 -49.45 74.02 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -176.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -60.78 -36.86 80.06 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.654 0.596 . . . . 0.0 110.66 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.44 -39.11 91.41 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.1 tp -67.48 -37.19 82.49 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.673 HG12 ' O ' ' A' ' 89' ' ' GLU . 28.0 mm -59.73 -42.09 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -62.33 -35.62 79.65 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.397 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 73.2 mt -72.64 -39.65 61.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 37.4 tp -59.25 -42.68 91.68 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.141 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.79 -38.32 90.21 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.322 0.582 . . . . 0.0 110.624 177.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -69.22 -38.15 78.41 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.817 -175.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.3 m -79.62 -14.04 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.387 0.613 . . . . 0.0 110.332 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.0 m -78.16 -18.21 55.85 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 121.713 0.768 . . . . 0.0 109.224 174.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.724 HE21 ' HA ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -89.35 -64.54 1.13 Allowed 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 172.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -146.61 -85.93 0.11 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.315 0.578 . . . . 0.0 111.01 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 74.9 m -152.91 -66.29 0.16 Allowed 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -152.73 170.35 20.49 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.127 -1.805 . . . . 0.0 106.127 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 48.92 49.24 19.57 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.857 1.348 . . . . 0.0 111.262 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 p -73.49 16.21 0.21 Allowed 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 114.509 1.299 . . . . 0.0 114.509 -173.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.5 m -101.31 37.1 1.84 Allowed 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 176.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.5 m -45.43 129.46 8.41 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 128.349 2.66 . . . . 0.0 113.114 -177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.6 m -92.41 108.47 20.24 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 CA-C-O 121.895 0.855 . . . . 0.0 111.716 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -140.13 106.42 5.27 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.707 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -170.18 152.22 4.14 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.319 -0.72 0 O-C-N 124.331 1.019 . . . . 0.0 112.195 -179.321 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.52 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.7 m -89.33 128.32 35.88 Favored 'General case' 0 N--CA 1.419 -1.999 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.28 -39.77 73.2 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.216 0.606 . . . . 0.0 112.241 -174.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.64 -46.68 89.39 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 121.283 0.563 . . . . 0.0 110.973 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -67.05 -49.38 65.35 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.25 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -58.11 -35.86 72.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.5 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.8 -46.26 79.3 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 41.9 tt0 -71.26 -35.27 71.33 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.285 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.08 -38.86 92.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.92 0.391 . . . . 0.0 110.087 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.01 -46.4 89.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.454 -0.794 . . . . 0.0 108.874 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -60.71 -44.27 96.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.953 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 86.2 mtt180 -60.8 -42.11 96.95 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.411 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.589 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 36.4 tt0 -63.77 -50.22 69.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.65 0.594 . . . . 0.0 110.12 177.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HD3' ' OE1' ' A' ' 16' ' ' GLU . 30.9 mmt180 -57.97 -40.85 81.66 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.688 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -63.76 -43.84 95.24 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.78 -41.43 92.03 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.833 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 39.3 mt-10 -62.31 -43.02 99.79 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 121.407 0.623 . . . . 0.0 110.619 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.27 -35.92 74.58 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.438 -1.255 . . . . 0.0 109.601 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -97.53 7.69 46.01 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.795 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 64.21 173.64 0.18 Allowed 'General case' 0 C--O 1.243 0.714 0 C-N-CA 124.854 1.262 . . . . 0.0 113.359 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -122.49 174.03 7.3 Favored 'General case' 0 N--CA 1.423 -1.79 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -133.5 76.17 1.65 Allowed 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.73 21.1 3.8 Favored Glycine 0 C--N 1.294 -1.785 0 N-CA-C 108.768 -1.733 . . . . 0.0 108.768 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -93.72 166.19 16.41 Favored Pre-proline 0 C--N 1.297 -1.689 0 CA-C-N 113.604 -1.298 . . . . 0.0 109.383 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -88.53 38.54 0.46 Allowed 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.255 2.636 . . . . 0.0 112.08 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.07 178.21 17.29 Favored Glycine 0 C--O 1.244 0.755 0 CA-C-N 116.28 -0.418 . . . . 0.0 113.753 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -51.99 -46.52 64.91 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.447 1.099 . . . . 0.0 113.318 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 31' ' ' GLU . . . -64.56 -36.78 85.34 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.335 -178.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.57 -34.81 79.12 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.327 0.584 . . . . 0.0 110.647 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -72.82 -47.44 46.37 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.062 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -62.73 -42.99 99.93 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.411 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' A' ' 35' ' ' ARG . 26.5 mm-40 -63.95 -38.81 92.46 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.346 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -61.44 -43.1 99.47 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.01 0.433 . . . . 0.0 110.553 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -64.43 -40.68 96.22 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.008 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.465 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 76.8 t60 -64.29 -40.52 96.11 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.327 -0.852 . . . . 0.0 109.678 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 31' ' ' GLU . 84.9 mtp180 -67.9 -29.58 68.71 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.0 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 39.5 mt-10 -63.06 -41.23 99.42 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.28 0.562 . . . . 0.0 110.044 177.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.49 -45.4 65.74 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.145 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 34' ' ' HIS . 50.4 mt-10 -57.26 -37.21 72.0 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.455 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 28.1 ttt -49.6 -51.03 40.17 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.666 0.604 . . . . 0.0 110.99 -178.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -76.88 -51.46 11.22 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.396 0.617 . . . . 0.0 111.595 174.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -60.45 -39.78 88.78 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -169.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.521 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 52.0 p -58.29 -51.6 69.1 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 112.829 0.678 . . . . 0.0 112.829 -173.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 47' ' ' VAL . 14.9 pt -63.84 -37.76 80.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-O 120.787 0.327 . . . . 0.0 111.305 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.89 -53.74 29.13 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.011 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.33 -18.62 63.83 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -177.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 42' ' ' SER . 16.0 mm-40 -83.46 -38.86 21.3 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.623 176.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 43' ' ' ILE . 32.6 m -84.29 -37.06 12.51 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.113 0 C-N-CA 120.104 -0.639 . . . . 0.0 111.565 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.1 mt -78.17 129.78 35.55 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -67.07 156.74 35.33 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 174.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -48.89 -37.86 20.91 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 123.835 0.854 . . . . 0.0 111.368 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.8 m -74.4 -33.86 63.13 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.008 0.433 . . . . 0.0 110.212 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.97 -37.91 64.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.903 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -65.28 -41.73 93.86 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.73 91.83 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.592 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -58.14 -39.34 78.53 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.085 0.554 . . . . 0.0 110.272 176.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 67' ' ' THR . 27.3 tp -71.84 -37.73 70.25 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.203 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.6 t -66.15 -26.59 67.5 Favored 'General case' 0 CA--C 1.555 1.141 0 CA-C-O 121.978 0.894 . . . . 0.0 108.875 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.545 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 2.8 t-20 -69.14 -52.22 30.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.297 174.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.408 ' HA ' HG22 ' A' ' 62' ' ' VAL . 4.6 mm? -60.16 -31.03 69.72 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.089 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.42 -26.46 67.87 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.498 0.719 . . . . 0.0 112.07 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.8 mt -90.17 -19.49 24.18 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.438 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 59' ' ' LEU . 30.1 m -97.1 -48.88 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.263 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.82 93.14 3.51 Favored Pre-proline 0 C--N 1.314 -0.959 0 CA-C-O 121.355 0.598 . . . . 0.0 110.597 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -67.19 -9.68 25.99 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.234 2.623 . . . . 0.0 113.566 -174.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -55.85 -51.2 68.36 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 176.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.512 ' HD3' HG23 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -67.88 -35.12 77.96 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-N 113.156 -1.838 . . . . 0.0 109.932 -175.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.473 ' HA ' HD11 ' A' ' 56' ' ' LEU . 9.6 m -62.3 -51.14 68.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 123.52 0.513 . . . . 0.0 110.161 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -62.27 -42.11 99.05 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.094 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.07 69.49 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.805 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.427 HG13 HG21 ' A' ' 99' ' ' VAL . 33.2 m -67.73 -39.52 82.22 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 C-N-CA 119.898 -0.721 . . . . 0.0 111.686 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 75' ' ' ILE . 54.5 mt-10 -64.96 -42.45 94.6 Favored 'General case' 0 C--O 1.21 -1.025 0 C-N-CA 120.3 -0.56 . . . . 0.0 111.44 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -64.36 -39.63 94.26 Favored 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -64.31 -50.89 66.06 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.737 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.65 -37.6 84.65 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 71' ' ' GLU . 58.8 mt -53.29 -50.37 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 121.208 0.528 . . . . 0.0 109.703 175.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.505 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 91.3 mt-30 -72.23 -45.09 61.7 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.682 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.58 ' HG3' ' OE1' ' A' ' 82' ' ' GLN . 25.8 ttt -59.12 -43.22 91.93 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 123.842 0.857 . . . . 0.0 111.367 -176.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.3 -34.61 63.56 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.683 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -73.13 -30.97 64.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.803 0.335 . . . . 0.0 110.902 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 76' ' ' GLN . 17.3 m-85 -84.78 1.98 44.26 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.046 0.45 . . . . 0.0 110.038 177.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.13 35.91 60.59 Favored Glycine 0 N--CA 1.437 -1.258 0 CA-C-N 115.412 -0.813 . . . . 0.0 114.256 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.58 ' OE1' ' HG3' ' A' ' 77' ' ' MET . 91.3 mt-30 -86.11 4.37 38.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 117.316 0.558 . . . . 0.0 110.95 179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -125.06 133.85 52.75 Favored 'General case' 0 CA--C 1.494 -1.178 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.956 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -111.99 -19.18 12.44 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -137.49 -166.71 1.99 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.858 -177.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -77.44 152.19 34.38 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 122.141 0.972 . . . . 0.0 112.473 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.3 t -102.22 113.11 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.233 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.3 m -77.66 172.06 13.98 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.436 ' O ' HG13 ' A' ' 93' ' ' ILE . 50.8 mt-10 -53.32 -48.22 68.63 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-N 117.754 0.252 . . . . 0.0 111.233 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -58.09 -32.68 68.31 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.484 0.49 . . . . 0.0 111.709 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.25 -41.19 47.27 Favored Glycine 0 N--CA 1.438 -1.189 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.6 tp -71.55 -31.11 66.65 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 89' ' ' GLU . 89.8 mt -61.77 -32.06 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.241 0.543 . . . . 0.0 109.77 175.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.428 ' OE2' ' HD2' ' A' ' 97' ' ' LYS . 19.6 tp10 -69.0 -33.66 74.03 Favored 'General case' 0 C--O 1.212 -0.881 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.308 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.1 mm -74.72 -41.82 47.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.76 -44.35 96.85 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.284 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.428 ' HD2' ' OE2' ' A' ' 94' ' ' GLU . 17.0 ptpt -62.74 -34.11 76.52 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 63.1 mtpt -65.5 -52.17 54.7 Favored 'General case' 0 C--O 1.211 -0.963 0 O-C-N 123.536 0.522 . . . . 0.0 110.47 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.512 HG23 ' HD3' ' A' ' 66' ' ' LYS . 11.2 m -67.11 -18.22 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -176.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.5 m -72.07 -20.63 61.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.539 0.685 . . . . 0.0 110.133 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -105.22 -70.15 0.79 Allowed 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -179.71 131.28 0.1 Allowed 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 126.543 1.937 . . . . 0.0 106.177 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.459 HG21 HG12 ' A' ' 99' ' ' VAL . 6.5 t -103.75 75.88 1.34 Allowed 'General case' 0 C--N 1.288 -2.104 0 CA-C-O 121.496 0.665 . . . . 0.0 110.531 -175.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 66.01 26.95 10.79 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.943 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 105' ' ' LYS . 12.7 tmtt? -69.66 -29.52 67.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.508 -1.223 . . . . 0.0 109.196 -175.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.7 p -82.34 -21.11 36.13 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.66 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.7 m -95.8 83.03 3.64 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 121.769 0.795 . . . . 0.0 110.348 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 32.9 m -125.86 141.27 52.06 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.875 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.79 148.1 5.74 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.063 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -73.94 104.21 4.72 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 176.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -82.83 87.29 6.81 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 . . . . . 0 C--N 1.297 -1.687 0 CA-C-N 115.27 -0.877 . . . . 0.0 108.979 -177.402 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.591 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 24.8 t -88.94 148.35 23.85 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 170.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.35 -48.46 46.62 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -175.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.17 -28.83 57.48 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.967 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -74.0 -48.88 27.17 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 124.193 0.997 . . . . 0.0 110.723 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 1' ' ' SER . 12.0 pt-20 -68.94 -26.33 65.01 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.56 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.72 -38.29 89.89 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 173.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -70.23 -48.18 58.14 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.803 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.64 -39.75 71.29 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.762 0.664 . . . . 0.0 111.027 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 58.2 tp -61.91 -35.71 79.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 177.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -71.39 -30.59 66.29 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 11.4 mpt_? -67.32 -37.5 83.42 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 173.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.28 -46.22 84.6 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.466 ' HA ' ' OE1' ' A' ' 16' ' ' GLU . 5.3 mmp_? -57.01 -37.21 71.39 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 11' ' ' ARG . 3.4 tm? -63.68 -35.79 81.72 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.93 0.892 . . . . 0.0 110.617 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 -31.24 71.94 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 120.928 0.394 . . . . 0.0 110.725 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.466 ' OE1' ' HA ' ' A' ' 13' ' ' ARG . 33.3 mt-10 -77.46 -37.95 50.39 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.01 0.91 . . . . 0.0 108.714 178.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.0 tp -63.43 -46.86 84.39 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.607 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -88.84 64.49 7.26 Favored 'General case' 0 N--CA 1.426 -1.647 0 CA-C-O 121.879 0.847 . . . . 0.0 109.819 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.8 34.13 5.28 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 113.646 -1.615 . . . . 0.0 108.412 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -60.96 147.06 44.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.661 -177.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -81.96 -19.31 40.88 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.13 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.82 15.31 61.96 Favored Glycine 0 C--N 1.312 -0.771 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.744 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -145.61 130.9 9.22 Favored Pre-proline 0 C--N 1.311 -1.089 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.03 -23.64 73.84 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.777 2.318 . . . . 0.0 113.475 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 131.33 156.61 8.53 Favored Glycine 0 N--CA 1.419 -2.479 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' HA ' HE21 ' A' ' 29' ' ' GLN . 27.9 t70 -64.02 -42.48 97.11 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 116.891 0.345 . . . . 0.0 111.593 -177.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.98 -46.38 71.51 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.237 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.7 -41.86 87.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.701 -1.136 . . . . 0.0 112.134 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.4 HE21 ' HA ' ' A' ' 26' ' ' ASP . 47.8 mt-30 -54.65 -47.61 73.34 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.394 0.434 . . . . 0.0 111.623 178.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -61.69 -47.52 84.93 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.751 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -71.9 -38.4 69.96 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.21 -175.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.03 87.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.08 0.467 . . . . 0.0 109.92 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -65.49 -42.1 92.55 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.441 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -61.39 -33.23 73.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.163 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -67.18 -46.54 73.65 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.65 -42.83 84.26 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.674 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.05 -55.05 15.99 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.028 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -58.24 -39.76 79.97 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.1 mmt -59.68 -47.73 84.49 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 120.963 0.411 . . . . 0.0 111.298 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -74.73 -55.36 5.93 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.225 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -60.01 -27.85 67.23 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -171.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 p -69.19 -50.76 44.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.85 0.357 . . . . 0.0 111.673 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.435 HD11 HG12 ' A' ' 75' ' ' ILE . 25.8 pt -75.57 -36.94 35.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.716 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.37 -32.48 72.4 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.162 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.05 -33.43 75.51 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.388 0.613 . . . . 0.0 110.684 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -71.14 -43.71 67.02 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.824 -178.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.621 HG11 HD12 ' A' ' 74' ' ' LEU . 21.9 t -83.16 -44.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.623 -175.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.83 130.96 42.61 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-O 121.954 0.883 . . . . 0.0 112.978 -173.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -61.76 155.78 22.06 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.439 170.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -50.78 -39.99 54.05 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 124.259 1.024 . . . . 0.0 110.694 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -67.88 -38.36 82.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.176 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.05 -35.46 74.27 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.792 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -73.92 -28.64 61.63 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.333 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.99 -43.91 77.83 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 173.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -63.29 -42.6 99.1 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.714 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 tp -55.58 -47.88 75.73 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.175 0.99 . . . . 0.0 110.654 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m -59.11 -43.7 91.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.994 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -58.83 -43.92 90.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.317 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.12 -34.76 78.3 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.405 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.44 -29.81 70.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.227 0.537 . . . . 0.0 111.348 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.5 mt -83.22 -23.27 32.87 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.675 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.1 m -103.4 -40.98 6.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -150.68 84.03 5.63 Favored Pre-proline 0 C--O 1.245 0.822 0 CA-C-O 121.518 0.675 . . . . 0.0 111.77 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -57.84 -22.87 55.99 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 123.997 3.132 . . . . 0.0 112.827 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.36 -45.64 84.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.4 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.415 ' HD2' ' HA ' ' A' ' 100' ' ' SER . 0.5 OUTLIER -78.52 -29.93 46.79 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.68 -178.345 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.1 m -62.49 -51.15 68.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -62.82 -33.02 74.35 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.894 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' A' ' 99' ' ' VAL . . . -69.87 -47.12 63.81 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.171 178.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.5 m -68.05 -38.93 80.63 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.825 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.957 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 75' ' ' ILE . 52.0 mt-10 -55.82 -51.06 68.79 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -56.04 -44.12 78.5 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 123.69 0.619 . . . . 0.0 110.308 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -65.34 -47.71 75.53 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.885 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.621 HD12 HG11 ' A' ' 47' ' ' VAL . 3.9 mm? -64.81 -37.43 87.59 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 71' ' ' GLU . 75.9 mt -54.93 -46.18 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -74.59 -37.96 62.76 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.574 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.07 -41.53 88.19 Favored 'General case' 0 C--O 1.249 1.068 0 C-N-CA 124.102 0.961 . . . . 0.0 109.488 -179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.03 75.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.344 176.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -66.65 -38.88 87.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.029 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -71.18 -33.26 69.82 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.47 39.41 8.33 Favored Glycine 0 CA--C 1.489 -1.562 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -93.72 10.72 31.77 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.294 -0.453 . . . . 0.0 111.878 -176.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.454 HD13 HG13 ' A' ' 47' ' ' VAL . 1.0 OUTLIER -117.36 156.78 27.28 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.113 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.2 m -100.75 -60.09 1.58 Allowed 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 172.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -145.46 -157.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.597 1.159 . . . . 0.0 108.883 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -58.27 126.13 26.23 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -176.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.76 138.84 20.79 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 175.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.2 m -85.04 -176.2 6.09 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.062 0.458 . . . . 0.0 111.956 -176.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -56.17 -42.99 77.95 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' A' ' 94' ' ' GLU . 90.0 mt-30 -56.76 -43.33 80.68 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 123.376 0.422 . . . . 0.0 112.009 -176.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.63 -40.37 98.54 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.18 -41.54 94.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.716 0.293 . . . . 0.0 110.229 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.8 mt -63.27 -31.09 51.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-O 121.15 0.5 . . . . 0.0 110.516 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 21.0 mm-40 -68.8 -45.73 70.5 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.3 mt -62.66 -37.14 78.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.321 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 48.5 tp -58.33 -37.86 75.98 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.444 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -63.39 -44.68 94.01 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -58.98 -51.36 70.41 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.066 -1.424 . . . . 0.0 110.212 -175.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.426 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 34.5 m -74.71 -20.02 16.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.415 ' HA ' ' HD2' ' A' ' 66' ' ' LYS . 73.1 m -68.72 -28.59 66.96 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 120.786 0.326 . . . . 0.0 111.473 176.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -103.29 -50.67 3.41 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.046 -0.661 . . . . 0.0 110.982 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -135.55 -94.84 0.26 Allowed 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -174.49 -47.29 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -156.03 179.94 8.74 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.7 mttp 61.96 11.94 4.54 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.5 m -76.85 109.92 11.04 Favored 'General case' 0 N--CA 1.429 -1.516 0 C-N-CA 123.087 0.555 . . . . 0.0 110.165 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 34.9 m -71.95 87.69 1.03 Allowed 'General case' 0 N--CA 1.435 -1.186 0 CA-C-O 122.511 1.148 . . . . 0.0 111.416 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 56.1 m -164.04 -33.18 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.432 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 25.0 t -98.61 150.29 4.99 Favored 'Isoleucine or valine' 0 C--O 1.251 1.151 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 168.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -85.37 85.58 7.43 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.547 0.689 . . . . 0.0 111.143 -175.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.432 ' CE2' ' HB ' ' A' ' 109' ' ' VAL . 86.4 m-85 -81.75 116.95 21.68 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.854 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.293 -1.862 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.077 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.549 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.451 ' HB3' ' HB3' ' A' ' 4' ' ' GLU . 31.1 t -159.73 179.84 8.49 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -176.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.07 -62.34 1.43 Allowed 'General case' 0 C--N 1.297 -1.705 0 CA-C-O 121.282 0.563 . . . . 0.0 110.047 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.28 -41.03 64.08 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.412 -174.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 1' ' ' SER . 32.0 tt0 -59.37 -45.86 90.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.753 0.658 . . . . 0.0 111.29 -177.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -64.49 -40.2 95.22 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 120.968 0.413 . . . . 0.0 110.086 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.7 tp -64.18 -45.42 88.45 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.962 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -75.27 -33.66 61.28 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.868 -179.342 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.42 -45.56 91.18 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 174.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.57 -44.78 93.19 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.327 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.59 -44.66 89.95 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.157 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 65.8 mtt180 -57.3 -47.63 81.0 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.3 -42.36 93.14 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.975 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -64.54 -37.68 88.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.166 -0.334 . . . . 0.0 111.646 175.104 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.3 tp -70.49 -31.07 68.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.927 0.394 . . . . 0.0 109.974 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.97 -27.69 64.93 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.793 0.806 . . . . 0.0 110.114 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -82.65 -47.24 12.28 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.824 176.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -53.76 34.41 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.024 -175.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 61.72 23.22 13.59 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.434 1.094 . . . . 0.0 112.906 177.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.66 162.97 39.16 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-O 121.204 0.526 . . . . 0.0 110.092 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -134.4 70.38 1.45 Allowed 'General case' 0 C--N 1.295 -1.792 0 CA-C-O 122.035 0.921 . . . . 0.0 109.363 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -99.38 -2.67 35.65 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.277 -173.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.27 -39.29 92.07 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.73 119.21 76.08 Favored Pre-proline 0 C--N 1.313 -1.003 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.3 -56.19 0.48 Allowed 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 122.397 2.065 . . . . 0.0 112.367 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 51.08 -132.46 33.11 Favored Glycine 0 C--N 1.344 0.987 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -102.16 -10.47 19.6 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 173.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.85 68.25 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.382 -176.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.67 -54.79 40.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.838 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.97 -25.75 61.12 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.525 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -65.4 -37.2 86.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.191 0.519 . . . . 0.0 109.704 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -73.22 -45.71 54.54 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.737 176.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.54 -44.96 85.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.135 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -62.82 -41.43 99.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.449 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -63.48 -41.92 98.58 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.52 ' HA ' ' HG2' ' A' ' 38' ' ' GLU . 54.7 mtt180 -63.52 -30.46 71.57 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.128 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -66.87 -49.81 64.5 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.218 0.532 . . . . 0.0 109.775 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.04 -52.81 62.44 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.904 -1.043 . . . . 0.0 111.418 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.52 ' HG2' ' HA ' ' A' ' 35' ' ' ARG . 14.0 pt-20 -63.26 -43.46 97.93 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -176.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.55 -49.2 74.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.857 0.36 . . . . 0.0 110.116 -178.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -62.51 -49.63 74.58 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.199 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -61.6 -48.13 82.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.711 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.3 m -57.18 -48.3 79.08 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 123.371 0.419 . . . . 0.0 111.944 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 75' ' ' ILE . 28.4 pt -71.62 -46.73 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.164 0 C-N-CA 119.327 -0.949 . . . . 0.0 111.873 -178.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.484 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 94.6 mt -67.5 -27.39 66.96 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -176.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.48 -31.42 32.93 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.99 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' A' ' 46' ' ' GLN . 8.4 mm-40 -87.87 -44.33 11.15 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.048 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.93 -45.08 77.91 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.143 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.524 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 85.2 mt -91.13 126.81 36.33 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.769 178.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.458 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 16.1 t70 -61.23 153.07 27.22 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 173.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 28.7 tt0 -54.94 -32.29 61.19 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 123.349 0.66 . . . . 0.0 111.675 -178.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 m -78.43 -27.2 46.48 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.34 -35.59 71.23 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.625 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -71.67 -26.9 62.71 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 119.515 -0.874 . . . . 0.0 110.81 176.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.91 75.16 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -62.7 -40.54 97.47 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.906 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.88 -43.13 94.91 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 123.783 0.833 . . . . 0.0 110.484 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m -63.24 -43.69 97.32 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.07 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -62.79 -37.44 86.69 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.031 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -33.74 76.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.66 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.32 -22.78 67.09 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.673 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.5 mp -79.6 -32.47 41.88 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.022 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -87.92 -58.41 3.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -146.5 100.78 4.06 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 117.87 0.305 . . . . 0.0 110.537 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 23.4 Cg_exo -64.4 -20.51 66.37 Favored 'Trans proline' 0 N--CA 1.48 0.729 0 C-N-CA 123.133 2.556 . . . . 0.0 112.507 -177.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.75 -45.13 95.24 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 121.727 0.775 . . . . 0.0 109.06 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.83 -29.77 61.16 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.546 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 64' ' ' PRO . 3.8 m -62.12 -51.62 67.15 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -66.24 -31.05 71.63 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.39 -49.8 65.61 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.73 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.12 -38.68 82.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.371 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 75' ' ' ILE . 52.0 mt-10 -59.62 -49.83 76.24 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.557 0.217 . . . . 0.0 110.672 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -57.33 -43.81 83.68 Favored 'General case' 0 C--O 1.25 1.092 0 C-N-CA 124.305 1.042 . . . . 0.0 109.606 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -62.26 -50.19 72.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.987 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.4 -40.83 97.78 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.409 ' HA ' HD12 ' A' ' 43' ' ' ILE . 78.1 mt -57.72 -43.08 83.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.327 0.584 . . . . 0.0 109.826 177.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -51.01 27.68 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.298 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -36.83 83.34 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.05 -39.99 68.69 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.196 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -62.63 -28.38 69.86 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.331 0.395 . . . . 0.0 111.282 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -79.56 8.53 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.562 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.48 23.09 77.83 Favored Glycine 0 CA--C 1.501 -0.813 0 CA-C-O 121.298 0.388 . . . . 0.0 112.756 176.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -98.4 -7.81 28.05 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -134.77 157.5 46.57 Favored 'General case' 0 CA--C 1.494 -1.175 0 CA-C-O 120.839 0.352 . . . . 0.0 111.202 176.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.9 t -171.29 -40.31 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -85.29 167.5 15.57 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.991 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -67.96 120.74 14.71 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -174.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.47 119.91 39.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 104.94 -2.244 . . . . 0.0 104.94 168.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -83.42 178.85 7.85 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.708 -176.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -57.62 -40.33 78.92 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 122.577 0.351 . . . . 0.0 110.995 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -57.71 -34.54 69.58 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.461 0.704 . . . . 0.0 110.818 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -75.59 -45.14 18.8 Favored Glycine 0 N--CA 1.437 -1.26 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.64 -38.14 86.59 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.574 -0.313 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.509 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 89.5 mt -62.41 -36.1 73.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.94 178.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 38.9 tt0 -68.88 -41.61 78.1 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.765 177.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 85.1 mt -62.87 -37.29 78.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.67 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.1 tp -60.21 -41.53 93.22 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.391 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 95.4 mttt -58.79 -47.26 85.38 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 94' ' ' GLU . 56.9 mtpt -60.82 -44.07 97.38 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.008 -0.997 . . . . 0.0 111.672 -177.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.3 m -77.92 -22.81 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.7 m -77.66 -31.27 52.52 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -72.67 -55.16 7.25 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.445 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -161.76 -82.35 0.04 OUTLIER 'General case' 0 N--CA 1.417 -2.09 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.979 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.2 p -147.84 -74.49 0.19 Allowed 'General case' 0 N--CA 1.427 -1.623 0 CA-C-O 121.822 0.82 . . . . 0.0 110.102 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -155.64 -48.43 0.08 Allowed 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 105.76 -1.941 . . . . 0.0 105.76 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm 76.8 67.58 0.05 Allowed 'General case' 0 C--O 1.243 0.718 0 CA-C-N 112.754 -2.021 . . . . 0.0 109.039 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.2 m -89.31 -65.0 1.06 Allowed 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 43.6 m -95.67 103.58 15.46 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.2 p -85.35 124.84 32.42 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.643 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.9 m -77.21 103.75 4.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.859 0.838 . . . . 0.0 111.189 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -125.88 13.27 7.92 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.361 -177.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -166.87 170.37 12.31 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 54.0 t30 . . . . . 0 C--N 1.301 -1.539 0 CA-C-O 118.659 -0.686 . . . . 0.0 109.308 179.114 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.653 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.419 ' HB2' ' HB3' ' A' ' 4' ' ' GLU . 49.4 m -163.4 101.44 0.94 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.28 -47.97 55.18 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -67.23 -42.12 84.54 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.432 0.634 . . . . 0.0 110.45 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' HB3' ' HB2' ' A' ' 1' ' ' SER . 9.8 tp10 -64.88 -43.85 91.6 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.669 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.78 -35.25 76.81 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.591 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.5 tp -62.37 -48.54 79.31 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -60.2 -35.32 75.13 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.056 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.99 -48.38 65.95 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.403 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.01 -43.72 98.24 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -57.11 -40.03 76.26 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.29 1.036 . . . . 0.0 111.379 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -80.7 -34.53 34.54 Favored 'General case' 0 C--N 1.312 -1.027 0 O-C-N 122.238 -0.289 . . . . 0.0 111.667 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -57.36 -44.02 83.99 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 124.178 0.991 . . . . 0.0 112.163 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -34.17 77.23 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.03 -0.668 . . . . 0.0 111.023 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mp -72.68 -29.31 63.31 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-O 121.181 0.515 . . . . 0.0 111.228 175.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.55 -24.66 65.56 Favored 'General case' 0 C--O 1.212 -0.917 0 C-N-CA 123.968 0.907 . . . . 0.0 111.844 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -50.97 -25.93 5.31 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.687 1.195 . . . . 0.0 113.77 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.452 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 3.4 tm? -74.02 -57.89 3.66 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-O 121.351 0.596 . . . . 0.0 109.966 177.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -71.47 -40.37 70.32 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.009 -176.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.57 3.04 42.41 Favored 'General case' 0 C--N 1.29 -2.0 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -170.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 23.0 pttp -80.8 106.82 13.1 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.826 177.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -125.51 25.72 6.96 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.808 0.813 . . . . 0.0 109.025 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.39 45.92 0.74 Allowed Glycine 0 N--CA 1.433 -1.553 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 9.4 p-10 -121.54 120.62 28.73 Favored Pre-proline 0 C--N 1.309 -1.192 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 23' ' ' ASP . 17.0 Cg_exo -69.04 -24.62 32.77 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 122.499 2.133 . . . . 0.0 113.057 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.95 -114.09 5.63 Favored Glycine 0 C--O 1.24 0.504 0 N-CA-C 111.556 -0.617 . . . . 0.0 111.556 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -57.91 -36.84 73.03 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 122.524 0.33 . . . . 0.0 111.193 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.0 -27.78 69.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.041 0.448 . . . . 0.0 111.5 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.34 -42.53 18.61 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 121.122 0.487 . . . . 0.0 109.844 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.613 ' HA ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -65.93 -42.36 90.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.948 -179.599 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -60.15 -39.15 85.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.382 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.92 -41.68 91.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.977 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.09 -34.88 73.7 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 121.519 0.676 . . . . 0.0 109.942 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -69.81 -26.42 64.24 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -69.2 -28.71 66.62 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.928 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -64.64 -44.04 91.73 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 33.1 mt-10 -58.26 -47.19 84.39 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.89 176.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.95 -56.02 27.63 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.694 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -54.58 -46.54 73.74 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -175.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -66.56 -36.85 83.67 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 123.339 0.4 . . . . 0.0 111.629 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.466 ' NH1' ' HB3' ' A' ' 36' ' ' GLU . 65.0 mtt180 -76.62 -45.17 31.16 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.482 0.658 . . . . 0.0 111.698 177.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -59.72 -31.69 69.85 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 124.373 1.069 . . . . 0.0 113.215 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.6 p -59.04 -48.16 82.62 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.8 pt -75.53 -37.98 38.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.975 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 97.1 mt -60.08 -44.74 94.57 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.369 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.2 -18.44 65.31 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.8 -25.88 16.46 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.4 m -94.94 -32.74 4.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.15 0.5 . . . . 0.0 111.42 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -91.25 129.36 37.25 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -61.84 156.74 19.86 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 172.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -55.48 -34.53 64.66 Favored 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 122.768 0.427 . . . . 0.0 110.736 -177.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.9 p -65.36 -46.71 79.07 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.335 0.588 . . . . 0.0 110.589 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.06 -38.84 75.89 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.662 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -64.67 -42.22 95.51 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.54 79.47 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.05 175.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -58.39 -39.93 81.0 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.762 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.2 tp -69.39 -29.19 66.89 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 121.138 0.494 . . . . 0.0 110.949 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.4 m -68.27 -38.83 82.14 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 175.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.64 -36.93 85.44 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.416 173.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.82 -35.08 78.73 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.566 176.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.78 -23.14 67.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.538 0.685 . . . . 0.0 111.03 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 97.8 mt -85.41 -14.37 46.46 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.097 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.2 m -113.63 -49.42 5.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -139.77 88.5 12.15 Favored Pre-proline 0 C--O 1.251 1.138 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.82 -35.93 64.89 Favored 'Trans proline' 0 CA--C 1.518 -0.306 0 C-N-CA 122.676 2.251 . . . . 0.0 111.549 -177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.9 -49.13 69.27 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.833 0.708 . . . . 0.0 110.804 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -76.02 -29.53 58.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.503 -176.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.4 m -60.87 -51.23 70.19 Favored 'General case' 0 C--O 1.224 -0.269 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -60.95 -36.37 79.18 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.565 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.38 -48.71 71.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.582 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -68.8 -37.72 77.81 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.131 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.891 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.532 ' O ' HG13 ' A' ' 75' ' ' ILE . 64.9 mt-10 -60.48 -46.21 90.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 176.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -58.26 -40.47 81.93 Favored 'General case' 0 C--O 1.245 0.866 0 C-N-CA 124.199 1.0 . . . . 0.0 109.611 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -65.28 -48.01 74.69 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.237 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.56 -38.11 88.78 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 71' ' ' GLU . 91.1 mt -57.06 -41.13 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 121.15 0.5 . . . . 0.0 110.299 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -75.44 -51.89 12.0 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.267 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.5 tpp -63.46 -32.13 73.48 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -174.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.45 -37.63 67.98 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 120.8 0.333 . . . . 0.0 110.949 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -73.07 -11.03 60.4 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -80.76 -5.92 57.79 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 120.991 0.424 . . . . 0.0 110.818 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.36 12.6 84.11 Favored Glycine 0 CA--C 1.506 -0.484 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.617 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -85.52 -24.65 27.21 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 121.869 0.843 . . . . 0.0 109.04 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 83' ' ' LEU . 4.3 mm? -89.63 102.18 14.86 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.082 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 t -150.6 27.92 0.72 Allowed 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 104.759 -2.311 . . . . 0.0 104.759 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -153.2 162.38 41.37 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 112.902 -1.954 . . . . 0.0 105.756 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -93.1 138.35 31.63 Favored 'General case' 0 C--N 1.275 -2.634 0 O-C-N 123.974 0.796 . . . . 0.0 110.573 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.0 t -93.9 117.24 37.04 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.178 0 N-CA-C 106.541 -1.652 . . . . 0.0 106.541 172.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.6 m -89.99 -173.82 4.01 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 93' ' ' ILE . 38.6 mt-10 -59.24 -44.04 92.36 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 122.795 0.438 . . . . 0.0 112.05 -173.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 94' ' ' GLU . 10.3 tt0 -61.4 -45.17 95.48 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 123.249 0.343 . . . . 0.0 110.761 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.73 -38.65 96.5 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.12 -44.39 96.75 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 89' ' ' GLU . 91.1 mt -64.17 -34.76 70.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.202 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 90' ' ' GLN . 37.9 mm-40 -62.34 -49.94 73.6 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.77 -38.35 82.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.432 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.51 -41.81 86.25 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 123.264 0.625 . . . . 0.0 110.485 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 101' ' ' GLN . 54.9 mtmt -68.52 -41.47 79.88 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.526 176.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.527 ' HA ' ' OE1' ' A' ' 101' ' ' GLN . 28.3 mtpp -60.71 -40.8 93.65 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.031 0.532 . . . . 0.0 112.181 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.4 m -76.72 -18.39 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 121.229 0.538 . . . . 0.0 111.378 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.7 m -79.13 -24.37 43.4 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-O 121.22 0.533 . . . . 0.0 109.807 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.527 ' OE1' ' HA ' ' A' ' 98' ' ' LYS . 88.8 mt-30 -66.74 -68.76 0.35 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 176.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -143.84 -79.98 0.2 Allowed 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.2 m -128.62 -46.06 1.31 Allowed 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 103.01 -2.959 . . . . 0.0 103.01 172.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HB2' ' HE3' ' A' ' 98' ' ' LYS . 2.8 pt-20 -167.97 147.85 4.89 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 113.277 -1.783 . . . . 0.0 107.519 166.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.532 ' O ' HG22 ' A' ' 106' ' ' THR . 54.8 tttp -137.37 167.53 21.43 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 171.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 105' ' ' LYS 0.282 1.3 t 92.31 137.01 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 128.097 2.559 . . . . 0.0 112.175 179.004 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.0 t -135.53 -0.27 2.67 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 113.956 -1.475 . . . . 0.0 107.726 174.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.418 HG22 ' OG1' ' A' ' 106' ' ' THR . 7.4 t -84.85 -33.14 22.93 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.926 -177.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.5 p -107.74 88.79 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.261 0 CA-C-O 122.662 1.22 . . . . 0.0 111.976 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -101.93 -31.45 10.68 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 114.023 -1.444 . . . . 0.0 107.29 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 39.0 t80 68.74 7.82 6.37 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.614 1.566 . . . . 0.0 112.959 171.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.304 -1.394 0 O-C-N 121.87 -0.519 . . . . 0.0 110.815 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.583 0 N-CA-C 111.466 -0.653 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.489 ' HB3' ' HB2' ' A' ' 4' ' ' GLU . 67.6 m -76.17 84.25 2.99 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -176.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.96 -54.77 5.7 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -78.09 -40.27 38.89 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.105 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 1' ' ' SER . 2.3 mp0 -65.12 -42.07 94.28 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.82 -176.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.461 ' HG3' ' HB2' ' A' ' 1' ' ' SER . 46.9 mt-10 -72.98 -27.48 61.84 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.389 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.63 -52.95 54.72 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.63 -43.68 76.39 Favored 'General case' 0 C--O 1.222 -0.365 0 O-C-N 123.718 0.636 . . . . 0.0 111.296 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.66 -56.61 18.34 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.625 0.578 . . . . 0.0 111.189 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.5 tp -63.65 -41.26 98.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.769 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -56.07 -47.95 76.99 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 124.006 0.923 . . . . 0.0 109.855 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -74.77 -34.6 62.49 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.13 -45.03 83.87 Favored 'General case' 0 C--O 1.237 0.424 0 O-C-N 123.516 0.51 . . . . 0.0 110.58 178.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -79.39 -46.32 17.82 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.024 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.38 -32.94 74.5 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.2 -27.25 67.1 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.016 0.436 . . . . 0.0 111.391 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.37 -33.45 42.89 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -71.6 -42.05 68.19 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 72.1 -58.33 0.59 Allowed 'General case' 0 C--O 1.242 0.683 0 C-N-CA 126.822 2.049 . . . . 0.0 113.148 175.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.46 81.16 2.5 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -173.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -87.89 93.49 9.48 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . 0.296 9.2 p-80 -85.75 81.63 8.52 Favored 'General case' 0 CA--C 1.502 -0.88 0 CA-C-O 122.732 1.253 . . . . 0.0 111.463 -178.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -163.66 88.71 0.1 Allowed Glycine 0 N--CA 1.404 -3.486 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -130.83 141.2 41.12 Favored Pre-proline 0 C--N 1.29 -2.007 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -85.03 14.46 2.47 Favored 'Trans proline' 0 C--N 1.329 -0.476 0 C-N-CA 122.803 2.335 . . . . 0.0 113.522 -177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.532 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -111.36 -79.45 1.01 Allowed Glycine 0 N--CA 1.428 -1.857 0 C-N-CA 119.906 -1.14 . . . . 0.0 111.846 -178.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 30' ' ' GLN . 27.0 t70 -68.35 -50.7 51.39 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 123.185 0.594 . . . . 0.0 110.411 -176.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.29 -26.67 67.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.416 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.6 55.45 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 120.88 0.371 . . . . 0.0 110.388 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 25' ' ' GLY . 12.6 mm100 -69.2 -46.78 66.6 Favored 'General case' 0 C--O 1.248 1.021 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.514 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 14.6 mm-40 -58.09 -45.41 87.24 Favored 'General case' 0 C--O 1.206 -1.227 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.137 -176.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -61.54 -27.15 68.41 Favored 'General case' 0 C--O 1.246 0.902 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.55 -45.07 16.43 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -63.93 -32.87 74.55 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.663 0.744 . . . . 0.0 109.653 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.538 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 30.1 t-80 -51.75 -55.51 19.29 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 126.02 1.728 . . . . 0.0 108.892 178.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -70.84 -28.79 64.86 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.712 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -63.79 -43.25 96.88 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 120.86 0.362 . . . . 0.0 110.773 176.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.24 74.82 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.971 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 34' ' ' HIS . 43.8 mt-10 -56.78 -47.31 80.45 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.337 -178.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 52.9 ttm -57.39 -46.72 83.13 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.779 0.674 . . . . 0.0 111.641 -177.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.0 mtp-105 -70.92 -52.22 21.31 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -57.01 -46.7 82.11 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.888 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.459 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 28.6 m -67.62 -41.11 84.45 Favored 'General case' 0 N--CA 1.431 -1.376 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -176.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.3 pt -72.15 -38.1 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 119.118 -1.033 . . . . 0.0 110.758 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.69 -41.11 98.94 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.468 176.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.65 -22.23 64.41 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 42' ' ' SER . 14.2 mm100 -87.42 -32.14 19.7 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.355 178.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.6 m -88.81 -35.78 8.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.732 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.7 mt -101.34 125.96 48.04 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -78.36 -175.36 4.19 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.468 -0.893 . . . . 0.0 108.84 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -55.55 -40.76 72.32 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -169.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 m -79.72 -31.09 41.12 Favored 'General case' 0 C--O 1.213 -0.826 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.383 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.8 -35.31 72.48 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -65.04 -42.67 94.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.911 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.11 91.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.352 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.574 ' HD3' ' OE1' ' A' ' 89' ' ' GLU . 9.5 tpt180 -64.67 -36.35 83.98 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.881 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.528 HD12 HD11 ' A' ' 59' ' ' LEU . 53.0 tp -63.81 -45.23 90.57 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.797 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.2 m -62.83 -42.75 99.86 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.547 0.689 . . . . 0.0 110.116 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -56.05 -47.01 78.7 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.692 176.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.528 HD11 HD12 ' A' ' 56' ' ' LEU . 4.5 pp -74.74 -33.01 62.27 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 121.208 0.528 . . . . 0.0 111.706 179.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.513 ' HA ' ' OG1' ' A' ' 67' ' ' THR . . . -59.66 -39.0 82.99 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.769 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.3 tp -72.09 -26.58 62.21 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.74 -177.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.0 m -93.23 -46.48 13.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 120.182 -0.607 . . . . 0.0 112.303 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -141.01 87.88 10.62 Favored Pre-proline 0 C--O 1.244 0.807 0 O-C-N 122.145 -0.347 . . . . 0.0 110.119 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.476 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 36.9 Cg_endo -67.14 -10.96 30.44 Favored 'Trans proline' 0 C--O 1.245 0.835 0 C-N-CA 122.692 2.262 . . . . 0.0 112.769 -178.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -66.37 -45.79 78.91 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -77.96 -28.9 49.56 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.226 -177.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.513 ' OG1' ' HA ' ' A' ' 60' ' ' ALA . 2.4 m -59.09 -41.54 88.29 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.989 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 54.9 mtmt -57.72 -46.18 84.77 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.035 178.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.27 -47.38 82.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.826 0.704 . . . . 0.0 111.965 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.77 -43.6 93.36 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.843 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 75' ' ' ILE . 63.6 mt-10 -61.65 -46.06 91.38 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.85 -40.25 75.76 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.159 0.984 . . . . 0.0 110.728 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -74.09 -45.07 51.49 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.106 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.02 -43.38 95.31 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 71' ' ' GLU . 74.5 mt -56.48 -46.79 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 123.361 0.413 . . . . 0.0 110.559 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -64.49 -51.15 64.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.0 ttp -64.02 -36.57 84.43 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.031 -176.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.3 82.91 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.92 0.39 . . . . 0.0 110.193 175.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -62.02 -39.31 91.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.775 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -72.64 -11.42 60.63 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.354 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.3 31.46 46.66 Favored Glycine 0 N--CA 1.437 -1.294 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.324 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -85.1 -8.79 58.49 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.856 0.36 . . . . 0.0 111.515 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 83' ' ' LEU . 4.4 mm? -89.39 152.4 21.52 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.24 1.019 . . . . 0.0 113.166 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.5 t -169.56 121.21 0.71 Allowed 'General case' 0 N--CA 1.386 -3.64 0 N-CA-C 100.913 -3.736 . . . . 0.0 100.913 177.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 78.03 175.02 0.17 Allowed 'General case' 0 C--N 1.303 -1.423 0 O-C-N 125.105 1.503 . . . . 0.0 108.559 -174.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.89 162.28 13.81 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.81 -0.556 . . . . 0.0 110.624 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.6 t -99.5 132.52 44.8 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 175.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.3 m -89.56 178.02 6.4 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.574 ' OE1' ' HD3' ' A' ' 55' ' ' ARG . 44.7 mt-10 -57.17 -48.4 78.82 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 122.572 0.349 . . . . 0.0 111.476 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -61.33 -34.29 75.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.362 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.15 -40.19 88.15 Favored Glycine 0 N--CA 1.451 -0.317 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.0 tp -66.9 -37.88 85.22 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 99.1 mt -67.19 -33.23 61.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.52 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -42.05 99.59 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 177.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.0 -42.26 82.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.046 175.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.4 tp -55.63 -38.54 69.64 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.704 0.802 . . . . 0.0 110.73 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -59.55 -53.77 54.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.541 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.534 ' HD3' ' HA ' ' A' ' 104' ' ' GLU . 4.2 ptpp? -69.67 -29.85 67.38 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -175.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 32.2 m -76.39 -21.51 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.189 177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.3 m -78.41 -23.56 46.66 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-O 121.618 0.723 . . . . 0.0 109.308 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -80.32 -66.24 0.91 Allowed 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.705 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -140.96 -75.39 0.32 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.888 0.851 . . . . 0.0 109.837 177.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.1 m -158.91 -56.53 0.07 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 176.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.534 ' HA ' ' HD3' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -133.76 130.36 37.93 Favored 'General case' 0 N--CA 1.408 -2.543 0 CA-C-N 113.997 -1.456 . . . . 0.0 107.998 173.644 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.458 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 7.5 mmpt? -141.17 132.45 26.6 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.9 t -120.46 85.66 2.43 Favored 'General case' 0 C--N 1.282 -2.342 0 CA-C-O 122.336 1.065 . . . . 0.0 108.82 175.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.1 t -101.85 129.23 48.03 Favored 'General case' 0 N--CA 1.418 -2.03 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.217 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 38.1 m -143.13 146.46 33.77 Favored 'General case' 0 C--N 1.279 -2.479 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 55.7 t 67.53 88.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.251 1.174 0 CA-C-O 121.821 0.82 . . . . 0.0 108.841 -172.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -167.35 -62.01 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.276 -177.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -84.11 -24.89 30.1 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.992 0.901 . . . . 0.0 109.029 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--N 1.294 -1.839 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 -179.685 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.746 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.2 m 66.7 30.72 8.03 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 176.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 5' ' ' GLU . . . -71.5 -39.58 70.74 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.469 0.652 . . . . 0.0 110.975 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -78.42 -32.16 48.49 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.84 0.828 . . . . 0.0 108.855 176.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.47 -34.25 75.61 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.047 -176.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 14.1 pt-20 -64.17 -34.82 78.95 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 tt -66.4 -47.43 73.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -56.73 -55.45 34.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.242 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.95 93.26 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.966 -177.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.8 tp -67.85 -41.99 82.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.497 -177.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 ttp-105 -60.25 -43.57 95.99 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -62.98 -37.96 89.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.013 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -68.09 -52.24 37.31 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.247 0.546 . . . . 0.0 110.136 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -64.67 -25.14 67.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.724 -177.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.98 -40.81 94.84 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.95 0.5 . . . . 0.0 110.032 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.35 -29.6 59.98 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.486 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -66.55 -41.1 89.16 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.898 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 tt -63.34 -53.19 56.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 68.07 -51.4 0.53 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.608 1.563 . . . . 0.0 114.762 173.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.24 128.9 39.03 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 123.964 0.905 . . . . 0.0 111.781 -176.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -122.9 71.71 1.06 Allowed 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -143.57 12.99 1.73 Allowed 'General case' 0 C--N 1.283 -2.293 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 169.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.41 -3.93 61.13 Favored Glycine 0 CA--C 1.503 -0.693 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.549 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 4.2 p-10 -97.53 141.73 23.45 Favored Pre-proline 0 C--N 1.305 -1.366 0 C-N-CA 123.537 0.735 . . . . 0.0 109.368 178.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 23' ' ' ASP . 13.2 Cg_exo -75.63 -8.84 19.63 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.449 2.099 . . . . 0.0 111.046 173.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.09 -125.82 19.27 Favored Glycine 0 N--CA 1.438 -1.194 0 CA-C-N 115.445 -0.798 . . . . 0.0 113.536 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.58 -41.58 77.2 Favored 'General case' 0 CA--C 1.508 -0.654 0 C-N-CA 123.387 0.675 . . . . 0.0 111.469 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.27 -43.47 92.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.772 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.49 -49.0 62.97 Favored 'General case' 0 CA--C 1.505 -0.785 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.125 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -58.83 -43.12 90.59 Favored 'General case' 0 CA--C 1.516 -0.339 0 O-C-N 124.168 0.918 . . . . 0.0 111.045 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -57.65 -57.79 11.19 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.376 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.44 -31.91 71.55 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 36' ' ' GLU . . . -67.21 -45.65 76.21 Favored 'General case' 0 C--O 1.211 -0.971 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 24.4 tptp -68.14 -35.89 78.8 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 121.273 0.559 . . . . 0.0 110.078 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.499 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 15.2 t-160 -56.41 -52.51 64.38 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 123.909 0.884 . . . . 0.0 108.915 174.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -73.04 -25.76 61.06 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.107 -178.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' A' ' 33' ' ' LYS . 2.4 tm-20 -59.72 -50.31 74.35 Favored 'General case' 0 C--N 1.312 -1.05 0 C-N-CA 124.923 1.289 . . . . 0.0 108.093 176.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.83 82.47 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.709 176.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 34' ' ' HIS . 43.3 mt-10 -57.98 -47.31 83.37 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 123.387 0.43 . . . . 0.0 110.339 177.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.433 ' O ' HG12 ' A' ' 43' ' ' ILE . 90.7 mtp -59.38 -50.12 75.18 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 123.833 0.708 . . . . 0.0 111.371 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -56.82 -51.28 69.6 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 121.413 0.625 . . . . 0.0 110.471 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.33 -48.15 82.65 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.524 -176.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.0 p -69.1 -41.12 77.89 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.437 ' O ' HG12 ' A' ' 47' ' ' VAL . 28.6 pt -66.67 -40.09 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 C-N-CA 119.664 -0.814 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.18 -43.44 82.19 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 121.285 -0.166 . . . . 0.0 110.706 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.64 -24.51 67.61 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -96.46 -35.63 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.063 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 43' ' ' ILE . 10.8 p -75.33 -30.83 23.07 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.007 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.633 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.423 HD23 ' HB ' ' A' ' 87' ' ' VAL . 96.8 mt -106.46 126.24 52.0 Favored 'General case' 0 N--CA 1.421 -1.883 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 177.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -66.15 161.63 21.51 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 173.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -48.36 -37.08 15.85 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 124.151 0.98 . . . . 0.0 110.767 178.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.575 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 22.8 p -66.83 -48.28 69.39 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.058 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.11 -35.7 78.57 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.387 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -59.58 -40.2 86.61 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.514 0.326 . . . . 0.0 110.445 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.47 92.43 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.198 0.523 . . . . 0.0 110.211 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' A' ' 51' ' ' SER . 5.8 mpt_? -67.34 -39.49 85.81 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.926 178.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.8 tp -63.25 -38.02 89.54 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.079 0.466 . . . . 0.0 109.885 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.406 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 39.7 t -66.62 -45.34 79.42 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.634 177.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -57.46 -51.41 69.56 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.679 0.392 . . . . 0.0 110.87 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.2 -32.6 72.37 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.351 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.402 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -68.2 -33.24 74.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.184 0.516 . . . . 0.0 110.978 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 57' ' ' SER . 94.2 mt -76.63 -30.06 56.71 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.115 -177.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 m -89.51 -59.29 2.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 C-N-CA 120.406 -0.518 . . . . 0.0 112.184 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -141.78 97.26 6.58 Favored Pre-proline 0 C--N 1.321 -0.649 0 O-C-N 121.982 -0.449 . . . . 0.0 111.154 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.461 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 18.5 Cg_exo -64.76 -10.38 24.66 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 123.122 2.548 . . . . 0.0 111.221 177.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -51.93 -56.32 14.85 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 126.141 1.776 . . . . 0.0 108.828 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -79.02 -29.88 43.87 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.757 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.461 ' OG1' ' HA ' ' A' ' 64' ' ' PRO . 4.3 m -57.62 -47.91 80.89 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.173 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 49.3 mtmt -61.63 -31.68 71.78 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.054 0.454 . . . . 0.0 110.904 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.33 -50.49 38.67 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.239 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.1 m -67.15 -39.15 82.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.942 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -56.4 -48.53 76.73 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 117.798 0.272 . . . . 0.0 110.557 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.26 -41.65 76.16 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.438 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -67.78 -48.15 67.15 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.862 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.27 -38.47 87.88 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.73 -43.68 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.46 -45.36 76.21 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.217 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.3 ttt -59.49 -42.8 92.94 Favored 'General case' 0 C--O 1.244 0.786 0 CA-C-O 121.222 0.534 . . . . 0.0 110.732 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.64 -31.43 66.84 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.187 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -64.74 -31.86 73.28 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.357 0.599 . . . . 0.0 109.387 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -75.03 -25.34 58.66 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.438 176.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.0 29.25 74.35 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -102.33 16.79 25.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.011 0.434 . . . . 0.0 111.82 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 47' ' ' VAL . 1.2 pp -84.35 118.69 24.38 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 176.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 m -84.96 -39.93 17.55 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 121.488 0.661 . . . . 0.0 109.399 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -124.77 179.84 4.82 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -81.54 145.15 30.82 Favored 'General case' 0 N--CA 1.409 -2.484 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 170.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.423 ' HB ' HD23 ' A' ' 48' ' ' LEU . 98.2 t -69.18 126.19 28.7 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.335 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.4 p -78.45 176.7 9.13 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.766 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' HG13 ' A' ' 93' ' ' ILE . 43.5 mt-10 -59.85 -48.41 81.79 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 174.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.489 ' O ' ' HG3' ' A' ' 94' ' ' GLU . 19.8 mp0 -60.13 -45.06 94.31 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.093 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.32 -41.24 99.75 Favored Glycine 0 N--CA 1.45 -0.43 0 O-C-N 123.694 0.621 . . . . 0.0 112.509 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.7 tp -65.91 -37.81 87.07 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-O 120.907 0.384 . . . . 0.0 110.013 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 89' ' ' GLU . 98.1 mt -66.32 -29.67 47.39 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.379 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 90' ' ' GLN . 36.8 mt-10 -68.7 -36.58 78.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.368 0.604 . . . . 0.0 110.009 174.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.437 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 72.4 mt -70.92 -35.88 61.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.709 0.766 . . . . 0.0 109.157 176.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 42.8 tp -64.28 -43.35 95.07 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.929 178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 94' ' ' GLU . 19.4 ptpt -69.4 -34.75 74.96 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 120.312 -0.555 . . . . 0.0 112.03 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 95' ' ' ILE . 21.3 ptmt -68.78 -36.9 78.87 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 119.991 -0.684 . . . . 0.0 110.506 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.7 m -82.6 -18.94 10.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.914 177.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 t -60.94 -39.16 88.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.826 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -100.21 -47.07 5.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.626 0.727 . . . . 0.0 110.233 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -130.01 -120.92 0.22 Allowed 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.213 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 19.9 m -162.58 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -169.02 134.16 1.56 Allowed 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt 166.55 -55.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 126.602 1.961 . . . . 0.0 107.883 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.8 p -136.17 83.82 2.04 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 96.2 m -81.03 86.24 6.16 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-O 122.779 1.276 . . . . 0.0 113.133 -175.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 31.1 m -148.4 105.04 3.56 Favored 'General case' 0 N--CA 1.419 -2.018 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 171.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.3 t -81.2 114.15 21.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.872 -171.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -112.05 104.58 12.84 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.596 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -88.77 83.71 6.69 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 174.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 . . . . . 0 C--N 1.301 -1.516 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -178.658 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.412 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.6 m -85.42 90.68 8.01 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.33 -51.89 56.2 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -172.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.3 -38.98 92.96 Favored 'General case' 0 C--N 1.316 -0.849 0 O-C-N 123.63 0.581 . . . . 0.0 111.867 -176.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -67.07 -46.97 72.7 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.253 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.34 -34.78 78.74 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.379 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.85 -43.49 75.34 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 35.4 tt0 -62.09 -40.3 95.4 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.02 88.32 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.7 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 tt -65.97 -45.67 80.87 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -59.39 -47.71 84.41 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.686 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 61.4 mtt-85 -57.43 -41.23 80.03 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.913 0.485 . . . . 0.0 110.917 178.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.98 -37.77 66.92 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.031 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.565 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -70.33 -36.27 74.15 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.285 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.89 -31.34 72.37 Favored 'General case' 0 CA--C 1.502 -0.885 0 C-N-CA 123.233 0.613 . . . . 0.0 111.61 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.08 68.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.559 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' HG3' ' NH2' ' A' ' 13' ' ' ARG . 26.7 mm-40 -80.98 -25.17 37.5 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.33 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -82.82 -60.64 2.1 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -176.97 -0.12 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.224 0 C-N-CA 124.558 1.143 . . . . 0.0 112.905 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 65.1 -168.75 0.21 Allowed 'General case' 0 C--O 1.243 0.746 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -170.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -94.82 134.05 37.86 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.221 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -101.15 81.74 2.27 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 121.402 0.62 . . . . 0.0 111.262 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.08 41.74 2.08 Favored Glycine 0 N--CA 1.432 -1.626 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -118.02 157.61 48.15 Favored Pre-proline 0 C--N 1.304 -1.374 0 CA-C-N 114.181 -1.01 . . . . 0.0 108.747 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -83.58 1.32 9.0 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.398 2.065 . . . . 0.0 112.758 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.83 110.39 3.1 Favored Glycine 0 N--CA 1.439 -1.128 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.568 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 30.8 t70 72.23 -50.63 0.7 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.062 1.345 . . . . 0.0 112.991 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.2 -23.91 50.93 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.69 0.796 . . . . 0.0 112.183 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.61 -27.51 67.76 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 9.7 pt20 -75.14 -31.28 61.03 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 119.587 -0.845 . . . . 0.0 108.971 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -66.68 -40.05 88.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -57.48 -55.02 40.18 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 123.945 0.778 . . . . 0.0 109.701 176.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.11 95.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.092 -177.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.78 -35.6 78.97 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.708 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -66.78 -35.2 79.52 Favored 'General case' 0 C--O 1.211 -0.962 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.0 mtp85 -67.39 -37.7 83.52 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.703 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -66.87 -54.25 24.16 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.897 176.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.78 -33.51 73.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.377 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.07 -49.61 77.24 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 60.2 ttp -84.67 -50.65 7.45 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.379 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 19.9 ttm180 -62.15 -51.49 67.65 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 123.521 0.728 . . . . 0.0 112.009 -172.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -63.98 -35.39 80.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.29 -176.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.6 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 29.1 m -71.63 -50.12 33.69 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.182 -178.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.444 ' O ' HG22 ' A' ' 47' ' ' VAL . 26.9 pt -62.87 -38.5 82.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.94 -178.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 94.7 mt -63.48 -38.74 92.3 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 120.983 0.42 . . . . 0.0 110.517 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.89 -18.75 62.66 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.917 0.389 . . . . 0.0 111.798 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.7 HE21 ' HA ' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -95.04 -34.23 12.4 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.661 -179.166 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 43' ' ' ILE . 34.9 m -96.27 -10.62 8.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.1 mt -112.6 129.98 56.19 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 121.352 0.596 . . . . 0.0 110.95 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.16 155.39 38.44 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 174.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -54.1 -31.64 52.54 Favored 'General case' 0 C--N 1.307 -1.275 0 C-N-CA 123.294 0.638 . . . . 0.0 111.541 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.442 ' HB2' ' HG3' ' A' ' 89' ' ' GLU . 30.6 p -64.59 -46.26 83.46 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.472 0.654 . . . . 0.0 110.205 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.49 81.09 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.541 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -69.46 -31.18 69.31 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.003 0.43 . . . . 0.0 111.323 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.22 -45.78 65.86 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 173.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.468 ' NE ' ' HA ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -56.8 -44.35 81.86 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 123.375 0.67 . . . . 0.0 110.022 176.505 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.61 -42.23 87.7 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 124.767 1.227 . . . . 0.0 110.668 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 t -66.5 -41.64 88.6 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.928 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -66.1 -28.95 69.21 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.317 0.579 . . . . 0.0 110.954 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.88 -34.59 69.31 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 123.726 0.81 . . . . 0.0 109.51 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.05 65.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.132 179.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.53 -16.58 60.82 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.0 m -101.88 -53.72 7.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 119.689 -0.805 . . . . 0.0 112.512 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -151.05 101.7 3.01 Favored Pre-proline 0 CA--C 1.508 -0.647 0 C-N-CA 123.024 0.53 . . . . 0.0 110.006 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -60.75 -22.79 74.59 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.178 2.585 . . . . 0.0 111.889 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -34.16 77.2 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.849 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.409 ' HE2' ' HA ' ' A' ' 100' ' ' SER . 23.7 mmmt -80.01 -30.39 39.58 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 119.466 -0.893 . . . . 0.0 109.231 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.7 m -59.99 -51.17 70.79 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.548 0.739 . . . . 0.0 109.929 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -64.83 -30.83 71.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.089 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.13 -43.49 70.86 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.875 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.09 -40.53 78.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.996 177.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 75' ' ' ILE . 48.2 mt-10 -56.79 -45.41 82.19 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 176.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -58.66 -41.69 86.66 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 123.58 0.752 . . . . 0.0 110.929 178.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -65.36 -43.97 89.13 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.838 -178.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.45 -37.34 85.53 Favored 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 120.713 -0.395 . . . . 0.0 111.244 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 71' ' ' GLU . 81.0 mt -54.49 -50.26 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 174.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.63 -47.44 81.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.639 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.4 ttt -61.29 -41.87 97.69 Favored 'General case' 0 C--N 1.304 -1.398 0 C-N-CA 123.572 0.749 . . . . 0.0 110.613 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.18 -32.78 67.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.355 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -63.06 -38.94 93.19 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 123.752 0.821 . . . . 0.0 109.78 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -68.31 -42.14 79.82 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.549 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.34 28.91 34.86 Favored Glycine 0 CA--C 1.48 -2.142 0 C-N-CA 119.413 -1.375 . . . . 0.0 110.528 174.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -78.69 -12.8 60.04 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.737 -0.731 . . . . 0.0 109.232 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -141.9 163.3 33.26 Favored 'General case' 0 N--CA 1.42 -1.937 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.601 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.7 m -138.25 10.92 2.79 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 174.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -95.54 162.66 13.55 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 114.122 -1.399 . . . . 0.0 110.115 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.532 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 10.1 mptt -100.0 117.29 33.97 Favored 'General case' 0 N--CA 1.409 -2.487 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -178.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.2 t -80.26 136.23 23.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.9 m -92.26 -173.84 3.55 Favored 'General case' 0 C--O 1.249 1.045 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' O ' HG13 ' A' ' 93' ' ' ILE . 30.3 mt-10 -57.43 -48.12 79.97 Favored 'General case' 0 C--O 1.213 -0.841 0 C-N-CA 123.121 0.569 . . . . 0.0 111.537 -175.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -57.66 -41.87 82.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.515 0.509 . . . . 0.0 112.261 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.09 -39.74 88.56 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.2 tp -65.35 -36.23 83.37 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 120.836 0.35 . . . . 0.0 110.329 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 89' ' ' GLU . 90.2 mt -62.37 -37.07 77.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.574 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.92 -36.47 83.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.415 0.626 . . . . 0.0 109.706 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.406 ' HA ' ' HG2' ' A' ' 98' ' ' LYS . 83.1 mt -66.71 -38.87 82.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.574 176.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.6 -41.37 98.93 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.203 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 97' ' ' LYS . 8.1 mmpt? -63.73 -44.78 92.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.891 179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.406 ' HG2' ' HA ' ' A' ' 95' ' ' ILE . 21.7 ptmt -71.31 -21.41 62.07 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.76 -2.99 9.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 C-N-CA 119.448 -0.901 . . . . 0.0 112.369 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.409 ' HA ' ' HE2' ' A' ' 66' ' ' LYS . 69.9 m -50.17 -43.02 52.05 Favored 'General case' 0 N--CA 1.444 -0.727 0 O-C-N 123.329 0.393 . . . . 0.0 110.984 175.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -104.92 -72.63 0.7 Allowed 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER 174.15 144.66 0.05 Allowed 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 124.837 1.255 . . . . 0.0 109.459 173.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.5 m -131.28 -91.21 0.43 Allowed 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.668 170.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -89.47 64.13 6.61 Favored 'General case' 0 C--O 1.249 1.076 0 CA-C-O 121.201 0.524 . . . . 0.0 110.106 176.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.717 ' HB3' ' HZ3' ' A' ' 105' ' ' LYS . 0.1 OUTLIER 175.92 140.39 0.06 Allowed 'General case' 0 CA--C 1.496 -1.133 0 C-N-CA 125.835 1.654 . . . . 0.0 109.515 179.582 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 m -94.78 121.41 36.34 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.101 0.477 . . . . 0.0 111.919 -173.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 93.9 m -115.98 131.08 57.04 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 172.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 40.4 m -54.89 -65.01 0.65 Allowed 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -174.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.28 164.03 22.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -175.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -97.8 132.15 43.66 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 175.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -100.89 55.64 0.86 Allowed 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 122.569 1.176 . . . . 0.0 107.908 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 N--CA 1.424 -1.761 0 CA-C-N 114.236 -1.347 . . . . 0.0 107.534 -177.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.379 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.552 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 30.6 p -134.76 30.45 3.42 Favored 'General case' 0 C--N 1.289 -2.026 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.33 -41.46 63.02 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -175.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -70.79 -40.66 72.44 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.691 0.758 . . . . 0.0 108.987 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -67.46 -35.87 80.05 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.435 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 1' ' ' SER . 75.0 mm-40 -63.6 -40.62 97.4 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 123.294 0.638 . . . . 0.0 109.357 176.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.3 -43.68 93.97 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.647 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -58.15 -47.14 84.26 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -45.8 92.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.752 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.6 tp -62.34 -42.47 99.41 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.337 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -60.46 -41.61 94.48 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 124.731 1.212 . . . . 0.0 110.577 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -78.22 -29.89 48.55 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.21 -42.2 93.7 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 173.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.56 -37.31 72.91 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.812 0.845 . . . . 0.0 108.995 176.637 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -63.1 -37.36 86.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.822 178.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.66 81.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -64.93 -39.62 93.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.809 176.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.28 -31.57 72.82 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 123.607 0.763 . . . . 0.0 109.195 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -85.64 -5.31 59.28 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.749 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 65.84 18.87 11.24 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.943 1.297 . . . . 0.0 111.731 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HG3' ' H ' ' A' ' 21' ' ' HIS 0.286 9.5 ptpp? 47.52 -79.02 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.134 1.773 . . . . 0.0 114.274 -176.818 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.461 ' H ' ' HG3' ' A' ' 20' ' ' LYS . 30.2 t-80 -169.15 27.4 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.38 77.01 0.5 Allowed Glycine 0 N--CA 1.437 -1.246 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.198 -177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -93.35 145.6 30.31 Favored Pre-proline 0 C--N 1.302 -1.467 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.132 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -93.3 44.57 0.3 Allowed 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 123.48 2.786 . . . . 0.0 111.532 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.43 -164.19 7.34 Favored Glycine 0 C--O 1.244 0.748 0 CA-C-N 115.867 -0.606 . . . . 0.0 113.446 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.79 -31.78 72.64 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 122.401 -0.47 . . . . 0.0 111.748 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.31 -44.67 78.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.594 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.67 98.7 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -68.94 -25.63 64.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.686 178.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.55 -47.42 60.4 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -69.37 -32.14 71.0 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 176.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.72 -50.93 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -59.38 -42.76 92.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.046 176.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.509 ' O ' ' HG2' ' A' ' 38' ' ' GLU . 12.0 t-160 -54.84 -50.2 69.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.968 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -74.17 -24.97 59.47 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.215 -178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -72.48 -32.05 65.91 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.666 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.77 -48.62 20.97 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.971 178.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 34' ' ' HIS . 9.0 mm-40 -53.28 -47.34 69.23 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -176.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 97.2 mmm -67.63 -38.57 84.08 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.945 0.402 . . . . 0.0 111.809 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.447 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 80.7 mtt85 -74.81 -29.3 61.04 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.715 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.408 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 66.4 t30 -57.37 -29.85 64.39 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 123.553 0.741 . . . . 0.0 110.862 -178.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -55.61 -49.95 71.44 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.842 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.1 pt -76.78 -38.26 29.43 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.573 177.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 91.1 mt -59.86 -40.27 88.04 Favored 'General case' 0 C--O 1.2 -1.527 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -177.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.53 -26.04 67.71 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -96.38 -19.26 19.34 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 121.468 0.652 . . . . 0.0 111.364 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.47 HG21 ' HB2' ' A' ' 78' ' ' ALA . 91.6 t -93.85 -44.66 13.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.268 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.3 mt -90.67 131.78 36.16 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.52 160.23 19.87 Favored 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 171.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -58.56 -34.09 70.65 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 122.421 0.288 . . . . 0.0 111.264 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 m -67.7 -34.21 76.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.91 69.62 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.464 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -44.76 96.29 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 120.822 0.344 . . . . 0.0 111.072 176.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.11 97.69 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.775 178.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.406 ' HD3' ' OE1' ' A' ' 89' ' ' GLU . 5.9 tpt180 -63.99 -41.3 97.55 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.66 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -49.12 78.47 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.453 1.101 . . . . 0.0 108.367 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.2 t -64.27 -29.82 70.9 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.161 -178.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -63.5 -40.68 97.72 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.729 0.299 . . . . 0.0 110.454 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.38 -32.19 66.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.348 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.54 78.19 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.623 0.725 . . . . 0.0 110.547 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.58 -24.01 62.69 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.97 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.2 m -97.7 -51.66 10.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 119.496 -0.882 . . . . 0.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -148.63 108.25 3.54 Favored Pre-proline 0 N--CA 1.466 0.357 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.95 -20.54 44.79 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.73 2.287 . . . . 0.0 112.003 -175.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.63 -35.64 78.48 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.857 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -79.99 -30.19 39.65 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.829 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 m -62.85 -51.99 64.88 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.357 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -60.58 -30.9 70.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.351 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.5 -49.05 62.56 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.473 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.57 -40.17 87.28 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 C-N-CA 119.834 -0.746 . . . . 0.0 111.458 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.422 ' O ' HG13 ' A' ' 75' ' ' ILE . 41.8 mt-10 -52.94 -50.44 64.02 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.969 0.507 . . . . 0.0 110.615 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.461 ' HA ' HD12 ' A' ' 75' ' ' ILE . 46.1 t-20 -62.48 -41.7 98.97 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.676 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -64.98 -36.98 86.13 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.284 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.75 -37.01 86.14 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.808 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 72' ' ' ASN . 64.8 mt -56.37 -48.18 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 175.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -62.21 -43.94 97.7 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.95 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.4 tpt -59.1 -45.4 90.96 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 122.896 0.478 . . . . 0.0 110.149 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.47 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -65.92 -37.17 85.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.523 0.678 . . . . 0.0 110.561 177.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -64.92 -40.15 94.62 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.618 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -72.92 -29.56 63.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.06 0.457 . . . . 0.0 110.287 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.69 34.89 37.76 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.73 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -94.88 19.09 10.7 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.107 0.479 . . . . 0.0 110.901 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -85.6 119.88 26.42 Favored 'General case' 0 CA--C 1.496 -1.107 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.195 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.5 m -100.01 -26.83 13.85 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 175.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -153.57 -166.83 2.51 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 125.382 1.473 . . . . 0.0 108.011 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.22 154.98 32.51 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 172.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.7 t -80.88 114.9 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.111 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 172.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 p -80.07 -179.72 7.17 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.607 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.443 ' O ' HG13 ' A' ' 93' ' ' ILE . 44.5 mt-10 -64.22 -44.77 90.86 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.408 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -61.33 -35.07 76.38 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.936 0.398 . . . . 0.0 110.703 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.3 -41.19 79.63 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.8 tp -66.33 -37.9 86.42 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.694 -0.253 . . . . 0.0 110.591 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 89' ' ' GLU . 97.8 mt -63.64 -35.47 72.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 122.532 0.333 . . . . 0.0 110.162 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.33 -43.95 96.3 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.96 -41.07 91.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.046 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 43.8 tp -62.27 -42.2 99.14 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.302 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -62.44 -32.61 73.5 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 122.671 0.388 . . . . 0.0 111.49 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 104' ' ' GLU . 99.3 mttt -66.68 -56.22 11.59 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.65 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.1 m -75.64 -17.71 15.67 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.568 -175.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.0 t -53.87 -53.63 49.84 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 123.828 0.851 . . . . 0.0 110.713 175.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -89.68 -48.51 7.23 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 119.386 -0.926 . . . . 0.0 112.032 -177.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -132.25 -85.27 0.48 Allowed 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.255 0.55 . . . . 0.0 110.268 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.7 m -158.18 -46.29 0.06 Allowed 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.509 ' HA ' ' HB3' ' A' ' 98' ' ' LYS . 9.7 pt-20 -134.15 174.83 10.07 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.318 176.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -117.79 -75.02 0.58 Allowed 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 176.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -176.88 -178.12 0.83 Allowed 'General case' 0 N--CA 1.416 -2.156 0 N-CA-C 103.879 -2.637 . . . . 0.0 103.879 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.4 t -150.46 151.41 32.7 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 t -82.12 137.56 34.96 Favored 'General case' 0 N--CA 1.427 -1.586 0 CA-C-O 121.563 0.697 . . . . 0.0 110.623 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 11.9 p -124.63 22.85 3.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -62.18 -40.83 97.34 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.386 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -147.05 140.55 25.57 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.638 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 . . . . . 0 C--O 1.256 1.413 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.442 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.485 0 N-CA-C 112.233 -0.347 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.485 ' O ' ' HG3' ' A' ' 5' ' ' GLU . 19.0 m -57.62 -29.98 64.97 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.522 0.729 . . . . 0.0 112.843 -176.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.9 89.72 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 120.739 0.304 . . . . 0.0 110.926 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -73.31 -28.98 62.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.301 0.572 . . . . 0.0 109.767 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.04 -48.34 74.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.836 176.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 1' ' ' SER . 48.0 mt-10 -59.77 -38.96 83.27 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.58 -45.16 94.19 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.921 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -68.43 -35.61 77.87 Favored 'General case' 0 C--O 1.2 -1.524 0 C-N-CA 120.111 -0.636 . . . . 0.0 109.994 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -49.9 75.91 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 5' ' ' GLU . 90.9 mt -57.04 -48.41 78.59 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 121.566 0.698 . . . . 0.0 109.607 175.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -57.59 -49.79 75.25 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 124.663 1.185 . . . . 0.0 111.539 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -64.47 -43.63 93.58 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 123.996 0.918 . . . . 0.0 112.188 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.575 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 35.1 tt0 -66.8 -45.09 79.5 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -59.35 -41.39 89.09 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.751 0.42 . . . . 0.0 110.498 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.1 tp -58.11 -40.95 82.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.623 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.55 -39.02 62.57 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.676 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 32.8 mt-10 -67.94 -41.2 82.9 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 17' ' ' LEU . 3.0 tm? -71.66 -25.32 62.08 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 176.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 64.02 62.05 0.9 Allowed 'General case' 0 CA--C 1.505 -0.764 0 C-N-CA 126.429 1.892 . . . . 0.0 110.548 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.13 136.49 34.36 Favored 'General case' 0 C--N 1.289 -2.054 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -63.36 -65.04 0.74 Allowed 'General case' 0 C--N 1.307 -1.247 0 O-C-N 123.868 0.73 . . . . 0.0 110.058 -175.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 52.42 33.02 12.23 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 122.802 1.287 . . . . 0.0 108.155 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -96.31 65.59 1.08 Allowed Glycine 0 N--CA 1.418 -2.511 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.746 -170.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -114.59 93.03 31.13 Favored Pre-proline 0 C--N 1.285 -2.2 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 172.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -67.59 -19.29 48.45 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.257 1.971 . . . . 0.0 112.294 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.28 52.87 2.77 Favored Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.814 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 18.1 t70 62.77 -71.26 0.05 Allowed 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 125.005 1.322 . . . . 0.0 114.373 176.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.14 81.6 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.382 0.61 . . . . 0.0 111.306 -176.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' HA ' ' HG2' ' A' ' 31' ' ' GLU . . . -77.75 -25.84 49.46 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.99 -178.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 20.8 pt20 -81.0 -25.19 37.42 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.794 -0.763 . . . . 0.0 109.866 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -72.82 -38.95 66.98 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 177.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.542 ' O ' ' HD2' ' A' ' 35' ' ' ARG . 5.7 pt-20 -73.05 -26.53 61.32 Favored 'General case' 0 C--O 1.211 -0.951 0 C-N-CA 119.346 -0.942 . . . . 0.0 110.218 177.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.35 -34.29 73.64 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.361 0.6 . . . . 0.0 109.419 175.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.599 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 21.4 tptm -74.57 -22.0 59.21 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.621 176.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -81.52 -38.2 26.62 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 174.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.542 ' HD2' ' O ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -63.45 -27.5 69.33 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.238 0.615 . . . . 0.0 109.778 173.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.599 ' HB3' ' O ' ' A' ' 33' ' ' LYS . 2.4 tm-20 -52.56 -54.36 33.89 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 125.198 1.399 . . . . 0.0 109.486 179.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.83 -57.28 3.62 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.083 0.468 . . . . 0.0 111.646 176.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -60.01 -49.22 78.54 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.173 -0.922 . . . . 0.0 113.41 -170.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.416 ' O ' HG12 ' A' ' 43' ' ' ILE . 72.9 mtp -70.32 -45.14 66.8 Favored 'General case' 0 CA--C 1.484 -1.562 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.891 -178.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -58.73 -53.27 60.31 Favored 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 123.543 0.527 . . . . 0.0 112.086 -176.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -59.59 -43.7 93.59 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 123.447 0.467 . . . . 0.0 110.284 -177.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 m -66.33 -50.17 64.49 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 39' ' ' MET . 30.3 pt -74.58 -38.45 45.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 C-N-CA 119.91 -0.716 . . . . 0.0 112.343 -175.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.03 -40.3 87.19 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 122.357 -0.214 . . . . 0.0 110.752 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.24 -18.82 65.59 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 176.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -93.23 -46.39 7.42 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.971 -0.456 . . . . 0.0 111.397 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.9 t -71.92 -43.04 68.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.458 HD23 ' HB ' ' A' ' 87' ' ' VAL . 86.0 mt -92.57 131.57 37.58 Favored 'General case' 0 N--CA 1.415 -2.213 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.71 152.67 18.3 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.999 -1.0 . . . . 0.0 108.844 172.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -53.98 -31.37 50.61 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 123.655 0.782 . . . . 0.0 112.116 -177.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -75.15 -34.69 61.64 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.84 -38.14 76.42 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -64.09 -43.04 96.6 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.073 176.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.5 -42.3 95.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.666 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 6.5 tpt180 -60.92 -46.52 90.33 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD11 ' HA ' ' A' ' 67' ' ' THR . 40.2 tp -68.04 -30.07 69.21 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.461 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.2 t -64.42 -29.77 70.82 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.677 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -71.01 -39.95 72.07 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.08 -31.94 71.6 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.318 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.56 -21.93 66.65 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-O 121.295 0.569 . . . . 0.0 111.739 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.53 -35.43 22.88 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.129 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.54 -51.79 12.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.424 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -146.77 86.83 6.53 Favored Pre-proline 0 C--O 1.248 1.013 0 C-N-CA 122.464 0.306 . . . . 0.0 110.255 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -59.79 -17.93 45.96 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.537 2.158 . . . . 0.0 112.17 178.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.86 -44.16 77.81 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 175.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -78.41 -29.36 47.15 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.736 -175.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.411 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 7.5 m -59.57 -50.22 74.73 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -53.93 -46.32 71.47 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.45 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.13 -46.16 74.93 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.998 -176.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.7 m -67.57 -40.65 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 C-N-CA 119.316 -0.953 . . . . 0.0 110.638 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.598 ' O ' HG13 ' A' ' 75' ' ' ILE . 56.2 mt-10 -63.78 -39.82 95.18 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' HB2' ' HA ' ' A' ' 108' ' ' THR . 2.3 t-20 -57.89 -44.38 86.67 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 124.387 1.075 . . . . 0.0 110.464 175.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -66.97 -43.43 83.1 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.253 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.08 -37.41 87.33 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 71' ' ' GLU . 91.7 mt -54.85 -45.05 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -67.62 -50.85 56.1 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.024 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.5 mmt -59.42 -36.14 75.33 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-O 120.907 0.384 . . . . 0.0 111.973 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.77 -34.39 73.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.45 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -63.86 -32.27 73.74 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -80.02 -7.53 58.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.416 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 67.81 40.07 89.72 Favored Glycine 0 C--O 1.225 -0.449 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -97.58 -5.58 35.32 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 122.676 -0.308 . . . . 0.0 111.546 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.14 137.09 53.84 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-O 121.751 0.786 . . . . 0.0 111.969 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.5 m -144.88 -40.02 0.25 Allowed 'General case' 0 C--N 1.282 -2.33 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -81.77 161.98 23.08 Favored 'General case' 0 N--CA 1.427 -1.612 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.532 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 10.6 mptt -89.98 135.69 33.5 Favored 'General case' 0 C--N 1.288 -2.08 0 CA-C-O 121.601 0.715 . . . . 0.0 111.905 -173.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.458 ' HB ' HD23 ' A' ' 48' ' ' LEU . 47.2 t -84.47 118.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.6 p -81.29 178.95 8.07 Favored 'General case' 0 N--CA 1.424 -1.751 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.405 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.501 ' OE2' ' HD3' ' A' ' 55' ' ' ARG . 30.8 mt-10 -57.74 -46.06 84.99 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 123.104 0.562 . . . . 0.0 110.657 179.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -62.06 -27.5 68.94 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.3 -42.48 11.85 Favored Glycine 0 N--CA 1.434 -1.451 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 35.1 tp -68.56 -33.87 74.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.663 0.268 . . . . 0.0 111.106 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 90.5 mt -60.03 -33.73 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.084 0.469 . . . . 0.0 110.533 176.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -68.22 -35.52 78.08 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.5 mm -69.29 -40.3 80.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.6 tp -59.22 -42.04 90.06 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.099 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.622 ' HE2' ' HA ' ' A' ' 97' ' ' LYS . 11.2 mmpt? -66.35 -35.73 81.09 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.493 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -66.79 -43.65 83.36 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.627 0.727 . . . . 0.0 109.503 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.7 m -80.29 -14.23 13.0 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.843 -178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.3 m -69.12 -20.5 64.05 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-O 121.019 0.438 . . . . 0.0 109.987 173.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -90.7 -75.87 0.45 Allowed 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.475 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -115.08 -31.31 6.08 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -173.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.3 m 68.46 97.3 0.06 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -168.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.92 103.56 0.37 Allowed 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 114.15 -1.387 . . . . 0.0 111.451 -171.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? 62.76 79.41 0.26 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.338 1.455 . . . . 0.0 108.599 -176.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.1 m -72.14 112.27 8.08 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 114.469 -1.241 . . . . 0.0 111.3 -173.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 98.0 m -152.8 -29.03 0.15 Allowed 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.419 ' HA ' ' HB2' ' A' ' 72' ' ' ASN . 31.1 m 69.68 -80.37 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.712 1.205 . . . . 0.0 110.206 -174.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.2 m -169.29 171.04 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.883 0 C-N-CA 127.3 2.24 . . . . 0.0 105.932 175.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -89.8 105.54 17.87 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -87.31 172.23 10.02 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.769 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--N 1.309 -1.16 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.739 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.446 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.479 ' O ' ' HG2' ' A' ' 5' ' ' GLU . 3.8 m -84.78 105.43 15.56 Favored 'General case' 0 N--CA 1.422 -1.841 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.03 -41.04 11.49 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.138 0.975 . . . . 0.0 111.45 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.27 -56.49 21.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.542 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.15 -47.08 84.22 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.441 -176.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 1' ' ' SER . 10.5 pt-20 -67.85 -26.94 66.29 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -177.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.0 tp -77.17 -49.6 14.83 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 174.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -59.68 -47.22 86.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.467 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.82 87.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.864 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.54 -40.77 76.66 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -65.56 -45.16 84.39 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.974 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -62.83 -29.0 70.4 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -62.84 -42.77 99.87 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -41.3 89.99 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.2 -29.66 70.76 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.252 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.76 -30.28 62.69 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 120.865 0.364 . . . . 0.0 110.562 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -79.71 -27.98 40.61 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.324 0.583 . . . . 0.0 110.471 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.38 -33.7 76.57 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 80.79 -39.48 0.15 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.157 1.783 . . . . 0.0 113.298 176.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.44 86.13 5.16 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -81.48 -38.22 26.68 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.294 -175.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 61.8 71.16 0.55 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 113.964 -1.471 . . . . 0.0 107.849 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.94 39.64 1.63 Allowed Glycine 0 N--CA 1.438 -1.213 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.796 -176.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -105.09 176.06 1.89 Allowed Pre-proline 0 C--N 1.3 -1.554 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 176.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -50.98 -28.92 25.65 Favored 'Trans proline' 0 C--N 1.37 1.708 0 C-N-CA 122.775 2.317 . . . . 0.0 113.537 178.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.57 -24.82 4.32 Favored Glycine 0 N--CA 1.434 -1.438 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.536 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 24.6 t70 -111.66 -19.6 12.43 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 121.018 0.437 . . . . 0.0 111.716 -177.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.73 -24.44 65.37 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-O 121.467 0.651 . . . . 0.0 109.544 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.17 -45.54 72.1 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.78 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 26' ' ' ASP . 9.1 pt20 -66.6 -35.25 79.74 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.644 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -67.94 -41.45 82.5 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.938 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -64.47 -47.93 77.16 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.566 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -60.7 -43.46 97.74 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.534 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.95 -39.74 83.37 Favored 'General case' 0 C--O 1.243 0.727 0 CA-C-O 120.929 0.395 . . . . 0.0 110.785 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -64.09 -42.08 97.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -64.91 -30.42 71.41 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.507 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.68 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 59.0 mt-10 -63.18 -59.28 4.97 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.69 93.97 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.931 -175.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -49.82 75.57 Favored 'General case' 0 C--N 1.316 -0.881 0 O-C-N 124.054 0.846 . . . . 0.0 109.068 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.9 ttt -68.23 -42.44 79.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.898 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.68 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 47.0 mtt180 -57.57 -53.6 56.33 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -65.45 -27.14 68.3 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.6 m -68.63 -38.55 80.62 Favored 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.787 174.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.7 pt -75.49 -37.44 37.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 C-N-CA 119.761 -0.776 . . . . 0.0 109.727 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 67.4 mt -58.35 -43.22 88.24 Favored 'General case' 0 C--O 1.206 -1.233 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.849 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.56 -21.07 66.14 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -89.08 -34.2 16.85 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.667 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.8 m -89.24 -31.56 5.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.1 mt -87.17 127.98 35.14 Favored 'General case' 0 CA--C 1.485 -1.528 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.482 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 15.1 t70 -76.89 175.65 9.29 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 174.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -48.33 -49.78 32.87 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 125.166 1.387 . . . . 0.0 113.971 -171.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.441 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 46.3 m -71.77 -42.2 67.44 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.273 -174.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.62 93.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.279 0.561 . . . . 0.0 110.23 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -62.92 -44.33 96.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.133 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.95 -36.91 83.28 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.828 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 58' ' ' ASN . 6.6 tpt180 -60.99 -51.56 68.75 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -176.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.405 ' HB3' HD21 ' A' ' 92' ' ' LEU . 2.2 pt? -69.85 -27.86 65.2 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 119.195 -1.002 . . . . 0.0 111.317 -177.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.8 m -60.18 -40.95 91.78 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.442 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 2.8 t-20 -61.01 -42.55 98.67 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.607 173.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.58 -35.92 66.31 Favored 'General case' 0 C--O 1.208 -1.103 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.07 -24.09 66.89 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.026 0.441 . . . . 0.0 112.151 -178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mp -99.46 -8.85 24.12 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -115.73 -43.42 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -143.33 81.84 12.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -65.92 -20.64 57.89 Favored 'Trans proline' 0 C--O 1.242 0.697 0 C-N-CA 123.043 2.495 . . . . 0.0 112.788 -173.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.5 -39.81 94.48 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HE3' ' HA ' ' A' ' 100' ' ' SER . 69.3 mmtt -73.65 -28.63 61.88 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.104 -176.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 5.3 m -57.06 -51.51 68.99 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -64.14 -33.66 76.28 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.678 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.72 -51.47 59.06 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.511 0.507 . . . . 0.0 110.428 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.1 m -67.57 -37.77 79.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.99 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.549 ' O ' HG13 ' A' ' 75' ' ' ILE . 54.9 mt-10 -56.23 -46.82 79.41 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -65.02 -46.25 82.12 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.315 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -59.41 -41.37 89.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.811 -177.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.5 -38.24 86.82 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.749 176.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 71' ' ' GLU . 79.4 mt -58.5 -47.91 86.93 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 175.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -60.13 -43.51 95.61 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.923 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.3 tpt -58.94 -43.93 91.31 Favored 'General case' 0 C--O 1.249 1.049 0 C-N-CA 123.381 0.672 . . . . 0.0 109.556 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.21 78.08 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.053 176.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.487 ' CZ ' ' HA ' ' A' ' 79' ' ' ARG . 2.2 mmp_? -65.15 -35.97 82.78 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.683 0.793 . . . . 0.0 112.592 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -75.39 -11.84 60.13 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.052 0.453 . . . . 0.0 110.621 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 70.13 24.06 76.81 Favored Glycine 0 CA--C 1.497 -1.063 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.725 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -102.17 9.11 40.39 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.643 0.735 . . . . 0.0 109.919 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.99 101.39 5.22 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 177.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.0 m -89.59 -41.4 12.01 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-O 120.874 0.369 . . . . 0.0 110.456 -175.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -154.02 -177.24 6.28 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 -175.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 32.4 mmtp -53.12 137.42 33.73 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 123.841 0.713 . . . . 0.0 112.518 178.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.1 t -83.0 117.5 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.347 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 173.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 m -76.18 171.79 13.91 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.784 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 1.4 tt0 -65.54 -38.15 88.79 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -175.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -68.31 -24.62 64.86 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.305 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.39 -39.88 61.02 Favored Glycine 0 N--CA 1.44 -1.07 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 177.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' A' ' 56' ' ' LEU . 44.1 tp -66.43 -38.68 87.96 Favored 'General case' 0 C--O 1.213 -0.839 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.95 -36.77 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.884 177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -61.44 -44.83 96.43 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.412 ' HA ' ' HE2' ' A' ' 98' ' ' LYS . 86.3 mt -64.7 -48.41 84.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.826 176.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.61 ' HA ' HG22 ' A' ' 99' ' ' VAL . 26.7 tp -58.63 -39.27 80.03 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 124.659 1.184 . . . . 0.0 112.839 -175.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.01 -42.84 99.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.896 0.379 . . . . 0.0 111.751 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' ' 95' ' ' ILE . 41.2 mtmt -71.45 -46.49 59.83 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.742 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.61 HG22 ' HA ' ' A' ' 96' ' ' LEU . 26.7 m -62.7 -23.83 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.955 177.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.498 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 8.7 t -64.72 -23.17 67.16 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 121.295 0.569 . . . . 0.0 109.991 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -101.06 -66.35 0.92 Allowed 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 175.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -125.93 -93.27 0.49 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.079 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.523 ' HA ' HG12 ' A' ' 99' ' ' VAL . 65.2 m -163.13 -71.78 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.051 -1.462 . . . . 0.0 107.051 177.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 155.29 115.29 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 127.496 2.318 . . . . 0.0 108.805 173.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -126.81 91.86 3.43 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 169.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.1 p -89.03 -33.67 17.08 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 114.629 -1.168 . . . . 0.0 112.227 -176.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.5 m -69.95 -34.76 73.85 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.4 m -83.9 103.4 13.13 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 115.398 -0.819 . . . . 0.0 108.825 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.35 -1.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 CA-C-O 121.299 0.571 . . . . 0.0 110.73 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -75.35 89.5 2.61 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.318 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -95.16 -30.07 14.22 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 176.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 40.3 t30 . . . . . 0 C--N 1.314 -0.975 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.425 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.3 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.444 ' HB3' ' HB2' ' A' ' 4' ' ' GLU . 43.5 m -88.13 35.37 0.75 Allowed 'General case' 0 C--N 1.306 -1.306 0 C-N-CA 123.416 0.687 . . . . 0.0 111.806 -176.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.78 89.73 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.169 0.509 . . . . 0.0 112.21 -176.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -78.74 -42.12 29.01 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.351 0.596 . . . . 0.0 109.673 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 1' ' ' SER . 14.2 mp0 -55.87 -51.61 66.96 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 125.556 1.542 . . . . 0.0 111.693 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.94 -37.55 85.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.054 0.454 . . . . 0.0 110.999 -177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.4 tp -73.39 -40.91 63.96 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.981 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.32 -44.35 88.11 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.979 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.28 85.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.299 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.15 -52.83 63.9 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.24 176.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -60.25 -51.33 70.0 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.774 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -60.75 -41.16 94.84 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.613 -0.722 . . . . 0.0 112.035 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 30.4 tt0 -67.28 -44.11 80.11 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 120.523 -0.471 . . . . 0.0 109.913 177.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 tpt85 -65.69 -29.34 69.87 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.888 -178.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.84 -42.17 99.63 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 123.316 0.646 . . . . 0.0 109.794 176.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.35 -36.12 76.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.29 0.567 . . . . 0.0 109.731 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 13.4 mm-40 -69.58 -28.56 66.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.093 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.456 HD11 ' HB1' ' A' ' 28' ' ' ALA . 4.2 tt -75.19 -34.29 61.5 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 71.86 14.41 5.93 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.018 -1.446 . . . . 0.0 111.494 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.425 ' HB3' HD22 ' A' ' 17' ' ' LEU . . . -138.83 131.43 28.94 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 175.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -72.04 97.57 1.92 Allowed 'General case' 0 CA--C 1.498 -1.033 0 CA-C-O 121.965 0.888 . . . . 0.0 111.877 -177.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -136.25 83.74 2.03 Favored 'General case' 0 N--CA 1.407 -2.601 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.61 -32.21 53.48 Favored Glycine 0 C--N 1.315 -0.628 0 CA-C-N 114.647 -1.161 . . . . 0.0 114.283 -179.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -66.59 113.14 11.53 Favored Pre-proline 0 N--CA 1.471 0.583 0 CA-C-N 117.027 0.413 . . . . 0.0 111.312 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -93.43 14.25 1.55 Allowed 'Trans proline' 0 N--CA 1.445 -1.368 0 C-N-CA 122.501 2.134 . . . . 0.0 111.949 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.21 47.82 3.72 Favored Glycine 0 N--CA 1.439 -1.111 0 CA-C-N 116.362 -0.381 . . . . 0.0 112.516 -175.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.5 t70 72.54 -31.59 0.23 Allowed 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 124.884 1.273 . . . . 0.0 114.292 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.21 -23.23 13.79 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.529 1.132 . . . . 0.0 112.274 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.456 ' HB1' HD11 ' A' ' 17' ' ' LEU . . . -53.42 -39.99 64.78 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.439 176.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -78.17 -25.28 47.12 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.969 0.414 . . . . 0.0 111.073 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -66.28 -38.61 88.19 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -68.93 -30.89 69.45 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.11 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.514 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -64.9 -42.14 94.99 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -69.88 -37.03 75.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.233 0.54 . . . . 0.0 109.97 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -57.29 -44.86 84.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.904 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -71.14 -28.01 63.97 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.969 -0.692 . . . . 0.0 111.169 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 40.2 mt-10 -64.95 -46.87 79.74 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.8 -43.09 97.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.34 178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.86 -41.63 67.69 Favored 'General case' 0 C--O 1.222 -0.36 0 C-N-CA 123.939 0.895 . . . . 0.0 111.803 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 55.2 ttp -58.51 -46.18 87.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.058 0.456 . . . . 0.0 111.368 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -74.85 -39.23 61.69 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.261 0.553 . . . . 0.0 109.529 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -63.11 -32.17 73.49 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.317 -175.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.2 m -54.47 -42.74 71.02 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -173.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 75' ' ' ILE . 29.9 pt -76.27 -38.59 33.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 C-N-CA 119.417 -0.913 . . . . 0.0 111.671 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.94 -44.41 85.15 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 121.02 0.438 . . . . 0.0 110.654 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.91 -29.06 70.49 Favored 'General case' 0 C--N 1.307 -1.256 0 C-N-CA 123.933 0.893 . . . . 0.0 112.851 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -89.75 -26.54 20.57 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.59 -0.844 . . . . 0.0 111.587 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.7 m -88.97 -27.64 5.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.309 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.9 mt -100.72 124.26 46.08 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.504 ' HB2' ' HB3' ' A' ' 86' ' ' LYS . 32.5 t70 -65.31 160.5 21.58 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 171.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -48.22 -37.08 15.09 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 124.249 1.02 . . . . 0.0 111.247 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.7 p -67.22 -51.02 58.35 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.727 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.4 -35.26 78.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.722 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.496 ' NH1' HD23 ' A' ' 56' ' ' LEU . 17.5 tpt85 -62.26 -44.91 95.46 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.29 90.52 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.279 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -59.34 -35.59 74.14 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 123.552 0.741 . . . . 0.0 111.304 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.534 HD12 HD11 ' A' ' 59' ' ' LEU . 50.7 tp -63.2 -41.24 99.13 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.914 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.4 t -65.34 -35.82 82.14 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -60.45 -49.17 78.62 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.945 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.534 HD11 HD12 ' A' ' 56' ' ' LEU . 4.4 pp -71.93 -37.12 70.09 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.411 0.444 . . . . 0.0 111.981 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.624 ' HA ' ' OG1' ' A' ' 67' ' ' THR . . . -54.81 -28.12 47.04 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 124.158 0.983 . . . . 0.0 112.953 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.12 -13.46 30.69 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -115.42 -26.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.318 -0.553 . . . . 0.0 112.414 -177.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -144.56 73.71 15.42 Favored Pre-proline 0 C--N 1.308 -1.224 0 CA-C-O 121.85 0.833 . . . . 0.0 110.274 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -69.99 -23.51 29.64 Favored 'Trans proline' 0 C--O 1.244 0.82 0 C-N-CA 123.373 2.715 . . . . 0.0 113.882 -172.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -74.03 -34.72 64.21 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -78.34 -28.83 47.35 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.576 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.624 ' OG1' ' HA ' ' A' ' 60' ' ' ALA . 10.6 m -60.46 -43.81 96.53 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -57.33 -41.79 80.66 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.268 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.82 -46.58 71.46 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 123.863 0.727 . . . . 0.0 111.354 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.97 -43.33 89.26 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.091 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.768 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.508 ' O ' HG13 ' A' ' 75' ' ' ILE . 54.6 mt-10 -59.15 -48.12 82.77 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.556 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 26.8 t-20 -58.18 -43.59 87.6 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.733 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.406 ' HA ' HE21 ' A' ' 76' ' ' GLN . 50.0 t80 -62.49 -40.25 96.11 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.51 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.87 -41.82 91.13 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.906 -0.718 . . . . 0.0 110.825 175.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 71' ' ' GLU . 76.1 mt -55.63 -46.13 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 121.41 0.624 . . . . 0.0 110.517 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 72' ' ' ASN . 21.2 pt20 -75.52 -44.63 42.62 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.9 ttp -67.43 -36.3 80.95 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.79 -31.56 72.85 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -19.05 64.41 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.893 0.877 . . . . 0.0 111.287 -177.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -84.36 -3.81 58.51 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.929 -0.482 . . . . 0.0 111.264 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.76 3.68 89.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.609 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -78.88 -9.56 59.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.334 0.588 . . . . 0.0 110.85 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.38 102.19 10.1 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.983 0.896 . . . . 0.0 111.263 174.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.1 m -133.37 15.55 4.1 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 171.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -130.62 162.89 28.35 Favored 'General case' 0 N--CA 1.423 -1.783 0 CA-C-N 113.279 -1.782 . . . . 0.0 108.09 -177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.504 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 48.0 mmtm -86.79 142.32 28.2 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 p -89.99 150.43 3.73 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 176.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 m -87.36 163.58 16.71 Favored 'General case' 0 C--N 1.289 -2.027 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -58.63 -45.44 89.25 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 120.951 0.405 . . . . 0.0 110.183 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -68.93 -18.65 64.13 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.34 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -78.77 -39.05 22.14 Favored Glycine 0 N--CA 1.441 -1.013 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 176.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.5 tp -70.07 -40.09 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.561 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 89.6 mt -63.08 -34.03 64.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.567 177.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.95 -35.92 81.75 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.401 ' O ' HG13 ' A' ' 99' ' ' VAL . 78.6 mt -70.21 -45.63 75.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.371 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 36.6 tp -57.21 -31.47 65.52 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.426 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 93' ' ' ILE . 88.7 mttt -65.3 -53.94 36.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.643 177.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -68.65 -35.14 76.87 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -176.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.526 ' HA ' ' HA ' ' A' ' 103' ' ' THR . 19.0 m -62.07 -14.0 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.4 ' HB2' ' OE1' ' A' ' 101' ' ' GLN . 13.8 m -60.5 -49.48 77.4 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 174.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.4 ' OE1' ' HB2' ' A' ' 100' ' ' SER . 22.5 mp0 -105.73 -74.86 0.64 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 121.265 0.555 . . . . 0.0 110.39 178.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -110.78 102.01 10.58 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.621 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 99' ' ' VAL . 3.4 m -42.68 -49.59 5.57 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.215 1.406 . . . . 0.0 109.646 175.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -176.28 123.82 0.18 Allowed 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.578 169.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.7 mmmp? -144.04 -8.93 0.69 Allowed 'General case' 0 C--N 1.295 -1.763 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.812 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 t -131.02 167.79 18.46 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.962 0.887 . . . . 0.0 111.446 -171.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.7 m -146.54 89.83 1.88 Allowed 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 174.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.6 m -57.73 118.0 4.83 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.074 -176.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.4 t -72.85 -32.26 39.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.459 ' HE2' ' OXT' ' A' ' 112' ' ' ASN . 14.1 mmmm 73.31 131.94 0.04 OUTLIER 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.152 1.381 . . . . 0.0 111.52 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -91.41 -17.65 25.47 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 172.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.459 ' OXT' ' HE2' ' A' ' 110' ' ' LYS . 2.4 t-20 . . . . . 0 N--CA 1.419 -1.991 0 CA-C-N 113.199 -1.819 . . . . 0.0 106.16 177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.915 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.1 m -113.32 78.99 1.18 Allowed 'General case' 0 N--CA 1.428 -1.568 0 CA-C-O 121.529 0.681 . . . . 0.0 109.497 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.04 92.67 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.951 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -67.77 -32.34 72.86 Favored 'General case' 0 C--O 1.201 -1.463 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.775 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.92 -47.29 75.25 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.514 0.673 . . . . 0.0 109.411 177.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -68.22 -36.59 79.75 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.313 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.54 -32.21 69.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.266 0.555 . . . . 0.0 110.133 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -70.89 -38.21 73.02 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.65 70.99 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.229 0.537 . . . . 0.0 110.172 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.68 -41.19 92.71 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.176 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -69.87 -35.79 74.96 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.879 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -65.63 -31.32 72.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.289 175.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 25.7 tt0 -65.2 -44.62 87.78 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 173.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -64.33 -30.07 71.13 Favored 'General case' 0 CA--C 1.556 1.206 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.075 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt -72.05 -38.89 69.41 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 176.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.44 -25.54 65.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.141 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 57.5 mm-40 -62.42 -41.31 98.6 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 173.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 17' ' ' LEU . 3.5 tm? -74.96 -22.68 58.41 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.238 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 75.05 9.63 3.89 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.882 1.273 . . . . 0.0 111.934 171.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 55.21 32.67 18.98 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.773 0.829 . . . . 0.0 110.901 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -74.23 124.39 26.3 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -174.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . 0.264 14.7 p-80 -152.67 65.49 0.8 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 123.065 1.412 . . . . 0.0 109.101 168.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.99 41.56 0.05 OUTLIER Glycine 0 C--N 1.291 -1.921 0 N-CA-C 106.006 -2.838 . . . . 0.0 106.006 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -135.33 162.16 59.06 Favored Pre-proline 0 C--N 1.292 -1.912 0 CA-C-N 112.292 -1.954 . . . . 0.0 108.217 -169.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -68.44 -47.98 1.32 Allowed 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 121.847 1.698 . . . . 0.0 111.537 173.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' O ' ' HG3' ' A' ' 29' ' ' GLN . . . 113.82 153.08 10.93 Favored Glycine 0 N--CA 1.427 -1.961 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.29 -41.25 83.97 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.089 0.471 . . . . 0.0 111.362 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.95 83.71 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.85 -27.57 62.0 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 77.0 mt-30 -66.22 -31.36 72.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.943 0.401 . . . . 0.0 110.171 174.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -70.43 -30.0 66.74 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 175.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 34' ' ' HIS . 42.9 mt-10 -72.17 -38.31 69.14 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 174.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -65.26 -35.89 82.42 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.977 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 24.5 tptm -64.89 -39.52 93.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.371 0.605 . . . . 0.0 109.415 174.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.433 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 55.7 t-80 -62.43 -43.38 98.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 175.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HA ' ' OE2' ' A' ' 38' ' ' GLU . 1.3 tpm_? -62.66 -32.36 73.41 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.784 -179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 10.9 mm-40 -57.97 -48.58 79.54 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.714 0.406 . . . . 0.0 110.243 177.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.38 90.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.2 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' OE2' ' HA ' ' A' ' 35' ' ' ARG . 40.1 mt-10 -62.21 -46.94 86.65 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.749 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 89.8 mtp -64.24 -38.73 92.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.657 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.401 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -66.34 -53.16 39.54 Favored 'General case' 0 C--O 1.218 -0.589 0 C-N-CA 120.666 -0.414 . . . . 0.0 109.904 173.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -56.79 -42.09 78.85 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 123.236 0.614 . . . . 0.0 112.396 -175.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.4 m -60.33 -47.79 84.52 Favored 'General case' 0 C--N 1.313 -1.005 0 O-C-N 123.6 0.562 . . . . 0.0 112.002 179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.2 pt -76.12 -38.73 35.12 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.089 0 C-N-CA 119.443 -0.903 . . . . 0.0 111.395 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 40' ' ' ARG . 96.3 mt -63.25 -27.43 69.34 Favored 'General case' 0 C--O 1.203 -1.391 0 C-N-CA 122.531 0.332 . . . . 0.0 111.676 -179.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.88 -29.55 67.87 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 120.898 0.38 . . . . 0.0 110.959 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 15.1 mm100 -96.56 -24.7 15.92 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.475 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 78' ' ' ALA . 93.5 t -89.54 -42.68 14.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.301 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -101.56 129.55 47.68 Favored 'General case' 0 C--N 1.292 -1.925 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.14 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -59.95 157.07 13.28 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.978 174.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -50.13 -35.77 27.18 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 124.402 1.081 . . . . 0.0 112.18 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.7 m -73.76 -37.3 65.08 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.454 0.645 . . . . 0.0 109.848 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.33 70.41 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.744 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -59.61 -37.87 79.74 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.019 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.72 -41.11 92.65 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.522 0.677 . . . . 0.0 110.283 178.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -64.93 -47.63 77.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.692 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.28 -43.03 82.75 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.298 0.639 . . . . 0.0 110.605 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.5 m -63.28 -41.03 98.96 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.769 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -64.68 -42.97 94.98 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.568 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.31 -35.09 73.17 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.927 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.9 -21.8 63.7 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 123.621 0.768 . . . . 0.0 112.795 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.1 mp -91.86 -28.12 17.51 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -94.1 -52.76 9.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -175.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -136.56 81.5 35.69 Favored Pre-proline 0 C--O 1.247 0.923 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.96 -27.75 85.61 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.36 2.707 . . . . 0.0 112.654 -175.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -62.97 -39.33 94.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.022 0.439 . . . . 0.0 110.597 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -78.47 -29.6 46.93 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 120.01 -0.676 . . . . 0.0 109.186 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.4 m -63.23 -45.96 89.14 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 175.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -57.87 -47.18 83.48 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.805 0.842 . . . . 0.0 109.203 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.0 -46.62 88.87 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.944 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.2 -41.53 75.23 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 CA-C-O 118.948 -0.549 . . . . 0.0 111.815 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.56 ' O ' HG13 ' A' ' 75' ' ' ILE . 47.0 mt-10 -53.32 -51.47 62.26 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.072 0.463 . . . . 0.0 109.835 176.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -58.95 -36.04 74.13 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.033 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -69.37 -44.07 72.3 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.34 -37.18 86.29 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.096 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 71' ' ' GLU . 68.7 mt -56.05 -46.28 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 CA-C-O 121.854 0.835 . . . . 0.0 108.792 174.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.25 -41.82 96.8 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.46 -1.246 . . . . 0.0 110.244 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.0 ttt -68.65 -39.2 80.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.216 0.532 . . . . 0.0 110.653 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.406 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -61.03 -31.47 71.11 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 123.807 0.843 . . . . 0.0 111.092 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -60.35 -23.6 64.39 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.209 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -77.91 -19.32 54.9 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.31 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 63.97 39.92 97.76 Favored Glycine 0 C--O 1.22 -0.778 0 C-N-CA 121.323 -0.465 . . . . 0.0 112.148 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -100.82 -1.94 33.5 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.727 0.299 . . . . 0.0 111.515 -177.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.71 90.05 7.63 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-O 122.049 0.928 . . . . 0.0 111.278 -175.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 51.0 m -93.0 -17.31 24.05 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 113.719 -1.582 . . . . 0.0 107.702 174.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -136.59 158.66 43.92 Favored 'General case' 0 N--CA 1.421 -1.901 0 N-CA-C 105.069 -2.197 . . . . 0.0 105.069 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 96.9 mttt -83.27 153.68 24.54 Favored 'General case' 0 C--N 1.272 -2.791 0 O-C-N 123.619 0.574 . . . . 0.0 109.805 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.87 132.02 33.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.2 m -86.19 179.57 6.91 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.674 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -55.01 -48.1 73.82 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.767 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -55.44 -48.78 73.92 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 124.358 1.036 . . . . 0.0 110.771 -176.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.91 -42.63 96.82 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.422 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.6 tp -63.69 -43.6 96.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 110.214 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.83 -34.46 70.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.599 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.65 -38.61 89.84 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.5 175.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.5 mt -66.73 -37.28 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.09 -48.44 80.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.752 176.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.04 -43.67 91.69 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.153 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.94 -49.24 78.48 Favored 'General case' 0 N--CA 1.432 -1.33 0 C-N-CA 123.213 0.605 . . . . 0.0 111.669 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.89 -18.86 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.4 t -84.0 -50.44 8.0 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -76.18 -57.97 3.56 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -91.02 -37.01 13.72 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.042 0.449 . . . . 0.0 110.032 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.6 m 65.8 75.84 0.33 Allowed 'General case' 0 N--CA 1.423 -1.786 0 CA-C-N 114.387 -1.278 . . . . 0.0 109.192 -175.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.409 ' O ' ' HD2' ' A' ' 105' ' ' LYS . 37.0 tt0 -96.79 98.65 10.31 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.832 -177.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.409 ' HD2' ' O ' ' A' ' 104' ' ' GLU . 30.3 mmmt -136.54 124.79 23.17 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 177.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.5 m -89.24 73.04 8.12 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 122.319 1.057 . . . . 0.0 111.013 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 53.9 m -155.17 96.53 1.83 Allowed 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 114.041 -1.436 . . . . 0.0 107.294 175.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.9 m -89.78 100.44 13.25 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.0 t 73.71 -70.32 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 125.336 1.454 . . . . 0.0 110.143 -176.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -144.62 147.46 33.14 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -71.29 -72.41 0.22 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 58.8 t30 . . . . . 0 C--N 1.294 -1.808 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 176.634 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.829 0 N-CA-C 112.344 -0.303 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' ' 4' ' ' GLU . 23.0 t -118.87 146.44 44.89 Favored 'General case' 0 N--CA 1.429 -1.523 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.95 -64.57 0.77 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -172.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -68.79 -25.99 64.98 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.474 0.654 . . . . 0.0 111.106 -177.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 1' ' ' SER . 2.3 tm-20 -69.17 -47.72 64.17 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.353 179.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.79 -32.61 69.77 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.914 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.86 -39.97 96.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.836 176.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -59.92 -47.13 87.03 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.13 88.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.885 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.62 -34.06 60.54 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -68.41 -31.11 70.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.274 0.559 . . . . 0.0 109.788 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 97.0 mtt180 -62.1 -37.93 86.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.81 174.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -67.28 -39.52 86.05 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -60.93 -39.37 89.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.126 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 18' ' ' GLN . 6.4 tt -57.38 -46.81 83.02 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 123.849 0.86 . . . . 0.0 110.35 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.86 -54.22 5.79 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -76.17 -48.66 19.71 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -169.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -80.41 -23.52 40.32 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER 69.8 74.53 0.23 Allowed 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 125.695 1.598 . . . . 0.0 106.792 -174.318 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' A' ' 14' ' ' LEU . . . -93.93 80.04 4.14 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-N 114.217 -1.356 . . . . 0.0 108.754 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -55.3 130.26 41.67 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 113.729 -1.578 . . . . 0.0 110.291 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -73.79 73.98 1.58 Allowed 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.538 0.685 . . . . 0.0 111.332 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.99 80.61 0.29 Allowed Glycine 0 N--CA 1.418 -2.516 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.41 151.57 87.56 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 177.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -65.19 35.76 0.11 Allowed 'Trans proline' 0 N--CA 1.502 2.009 0 C-N-CA 124.452 3.435 . . . . 0.0 116.457 -173.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.57 111.52 3.72 Favored Glycine 0 N--CA 1.429 -1.796 0 CA-C-O 120.003 -0.332 . . . . 0.0 112.549 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 t70 35.46 -80.34 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 127.42 2.288 . . . . 0.0 117.029 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.06 -26.13 66.58 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 123.146 0.579 . . . . 0.0 111.474 -174.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.77 -28.36 69.52 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.838 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -67.5 -41.13 85.0 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.316 0.579 . . . . 0.0 109.812 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -77.1 -33.93 56.87 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.82 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -62.34 -36.23 81.55 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.169 174.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.85 -49.01 79.21 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -63.63 -36.05 82.56 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.223 0.535 . . . . 0.0 110.585 178.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -60.79 -34.93 75.25 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 123.904 0.882 . . . . 0.0 109.499 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -81.23 -33.35 32.9 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.879 0.371 . . . . 0.0 110.183 176.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -62.97 -34.21 77.04 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.905 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.36 -36.19 73.09 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.331 0.586 . . . . 0.0 110.368 177.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -79.89 -49.98 11.14 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.375 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 61.1 mtt -83.96 -45.45 13.14 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -171.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.491 ' HD2' HG23 ' A' ' 75' ' ' ILE . 6.6 tpp180 -74.17 -31.01 62.52 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 122.135 -0.353 . . . . 0.0 110.915 -171.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -59.82 -36.79 77.51 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.552 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 16.4 m -56.35 -50.1 72.47 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.332 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.2 pt -68.94 -37.01 76.74 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.789 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.49 -36.16 79.7 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.051 0.453 . . . . 0.0 110.355 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.11 -18.49 61.29 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.323 177.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 42' ' ' SER . 25.6 mm-40 -86.16 -37.02 19.15 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 120.918 0.389 . . . . 0.0 110.261 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.625 ' HA ' HD13 ' A' ' 83' ' ' LEU . 5.2 p -83.64 -32.94 9.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.806 -178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.0 mt -104.35 126.01 51.08 Favored 'General case' 0 C--N 1.288 -2.071 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.791 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -61.02 160.37 10.02 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.138 175.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 tm0? -47.95 -38.96 17.89 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 124.541 1.137 . . . . 0.0 111.126 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.6 m -72.48 -36.08 68.34 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.292 0.568 . . . . 0.0 110.201 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.65 -36.37 65.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.987 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -62.3 -39.11 91.91 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.952 0.406 . . . . 0.0 110.106 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.88 -35.32 79.76 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.982 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HD3' ' OE2' ' A' ' 89' ' ' GLU . 12.5 tpt180 -67.75 -36.73 81.07 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.997 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.37 -49.56 74.1 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.84 0.456 . . . . 0.0 111.274 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.8 t -64.02 -38.19 90.16 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.484 0.49 . . . . 0.0 109.855 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -58.01 -50.69 72.55 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.827 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.11 -37.07 84.82 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.439 ' HB2' HG21 ' A' ' 67' ' ' THR . . . -62.86 -23.75 67.46 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 122.775 0.43 . . . . 0.0 112.127 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.78 -9.06 29.62 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 120.894 0.378 . . . . 0.0 111.323 -177.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.7 p -115.46 -44.6 3.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 C-N-CA 120.275 -0.57 . . . . 0.0 112.242 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -143.64 81.34 12.18 Favored Pre-proline 0 C--O 1.24 0.567 0 C-N-CA 122.3 0.24 . . . . 0.0 110.36 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.68 -23.76 76.89 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.822 2.348 . . . . 0.0 113.305 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -62.35 -38.82 90.99 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.731 0.3 . . . . 0.0 111.0 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.403 ' NZ ' ' HA ' ' A' ' 100' ' ' SER . 25.9 mmmt -79.34 -31.78 43.12 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 119.353 -0.939 . . . . 0.0 110.258 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 60' ' ' ALA . 3.8 m -62.35 -49.47 75.46 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.914 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -61.79 -32.81 73.12 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.854 0.359 . . . . 0.0 110.717 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.24 76.37 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.134 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.01 -41.42 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.961 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.449 ' O ' HG13 ' A' ' 75' ' ' ILE . 48.8 mt-10 -58.44 -43.65 88.85 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.382 0.134 . . . . 0.0 110.702 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -54.81 -40.43 69.52 Favored 'General case' 0 C--O 1.239 0.553 0 C-N-CA 123.698 0.799 . . . . 0.0 110.473 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -74.08 -51.99 14.04 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.933 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.32 -37.09 76.89 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.491 HG23 ' HD2' ' A' ' 40' ' ' ARG . 68.2 mt -53.6 -50.48 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 123.166 0.291 . . . . 0.0 110.544 176.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -72.87 -41.3 64.85 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.677 -178.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.481 ' HG3' ' HB2' ' A' ' 82' ' ' GLN . 25.9 ttt -59.64 -41.81 91.36 Favored 'General case' 0 C--N 1.308 -1.237 0 C-N-CA 122.987 0.515 . . . . 0.0 111.18 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.537 ' HA ' ' CD2' ' A' ' 83' ' ' LEU . . . -72.48 -38.53 68.15 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.521 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -62.29 -40.1 95.16 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.288 -179.262 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -94.61 -1.71 52.75 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 113.631 0.975 . . . . 0.0 113.631 -176.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.58 35.29 55.74 Favored Glycine 0 C--O 1.224 -0.476 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.913 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.481 ' HB2' ' HG3' ' A' ' 77' ' ' MET . 46.5 mt-30 -84.24 -3.27 58.09 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.522 0.677 . . . . 0.0 110.96 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.625 HD13 ' HA ' ' A' ' 47' ' ' VAL . 1.2 pt? -95.37 149.75 21.02 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.174 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -102.55 -34.02 9.27 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-O 121.424 0.631 . . . . 0.0 110.351 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.48 -173.18 4.37 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 -177.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 57.1 mtmt -74.2 117.92 16.56 Favored 'General case' 0 C--N 1.282 -2.331 0 O-C-N 123.967 0.792 . . . . 0.0 109.33 177.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.3 t -77.68 132.02 33.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.3 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.1 m -90.54 -170.82 2.85 Favored 'General case' 0 C--O 1.25 1.126 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.497 ' O ' HG13 ' A' ' 93' ' ' ILE . 51.3 mt-10 -58.45 -47.37 84.22 Favored 'General case' 0 C--O 1.199 -1.571 0 C-N-CA 122.75 0.42 . . . . 0.0 112.095 -175.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -61.02 -35.27 76.42 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-O 121.002 0.43 . . . . 0.0 111.597 -176.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.495 ' O ' HG12 ' A' ' 95' ' ' ILE . . . -69.97 -42.43 68.78 Favored Glycine 0 N--CA 1.434 -1.444 0 N-CA-C 110.251 -1.139 . . . . 0.0 110.251 176.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.5 tp -66.73 -38.24 86.27 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 122.509 0.324 . . . . 0.0 111.329 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.528 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 80.2 mt -59.54 -36.61 65.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.71 -35.22 74.87 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.225 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 91' ' ' GLY . 28.7 mm -63.35 -42.28 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 174.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.429 ' HA ' HG22 ' A' ' 99' ' ' VAL . 18.2 tp -62.29 -34.31 76.34 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.869 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 93' ' ' ILE . 32.4 mmmt -63.35 -48.49 77.75 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 176.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 104' ' ' GLU . 58.4 mtpt -59.03 -46.94 86.95 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.749 -178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 103' ' ' THR . 19.8 m -73.36 -22.69 19.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.915 0.388 . . . . 0.0 112.033 -178.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 66' ' ' LYS . 66.5 m -76.73 -18.45 58.48 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 122.054 -0.404 . . . . 0.0 111.578 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -76.65 -78.03 0.13 Allowed 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.115 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -130.3 -59.05 1.05 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 120.961 0.41 . . . . 0.0 110.047 -177.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 53.8 m -148.64 -60.59 0.24 Allowed 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 176.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' HA ' ' HB3' ' A' ' 98' ' ' LYS . 2.2 pp20? -179.03 -22.35 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.932 1.293 . . . . 0.0 109.815 176.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -129.73 -174.57 3.34 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 171.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.2 t -107.02 82.76 1.73 Allowed 'General case' 0 N--CA 1.418 -2.044 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.796 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.7 m -84.25 -45.37 12.95 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.2 m -91.72 117.04 29.39 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 176.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.9 m -90.67 -40.33 12.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 C-N-CA 118.869 -1.133 . . . . 0.0 110.229 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -90.06 80.08 6.4 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 174.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -64.13 -50.33 68.67 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.645 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 46.9 t30 . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.765 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.928 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.3 m 66.18 4.59 3.2 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.039 1.336 . . . . 0.0 114.256 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.29 -34.63 48.73 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.48 -34.2 60.87 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.14 -34.97 75.85 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.487 175.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -61.61 -44.04 97.74 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.787 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.0 tp -66.49 -42.61 87.18 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 123.496 0.498 . . . . 0.0 109.765 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 14.2 tp10 -57.47 -55.59 32.86 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.838 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.03 99.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.273 -177.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.474 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 6.7 tt -61.01 -52.59 64.36 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 123.677 0.611 . . . . 0.0 109.678 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.89 -43.48 95.89 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.283 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 79.1 mtp180 -64.54 -44.97 89.13 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.421 0.153 . . . . 0.0 111.281 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.603 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 35.7 tt0 -63.24 -51.96 64.09 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' HD2' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -57.2 -38.19 73.31 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.456 0.473 . . . . 0.0 111.647 178.291 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.39 -44.52 82.84 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -44.6 84.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.913 -176.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 12' ' ' GLN . 42.9 mt-10 -61.93 -46.36 89.66 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.704 0.764 . . . . 0.0 111.523 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 17' ' ' LEU . 2.7 tm? -77.04 -26.42 53.64 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.359 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 63.31 46.75 4.31 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -173.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.7 114.33 6.23 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 113.838 -1.528 . . . . 0.0 111.911 -175.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -108.28 139.19 43.35 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -138.94 27.08 2.42 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 122.192 0.996 . . . . 0.0 108.852 175.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.73 57.96 4.91 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 174.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 5.1 p-10 -145.84 144.4 22.08 Favored Pre-proline 0 N--CA 1.423 -1.816 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -175.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 23' ' ' ASP . 3.9 Cg_exo -87.47 23.61 0.79 Allowed 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 122.489 2.126 . . . . 0.0 112.353 177.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.83 -94.76 0.69 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.65 -0.31 . . . . 0.0 112.674 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -49.81 -46.48 51.09 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.284 1.033 . . . . 0.0 111.847 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' A' ' 31' ' ' GLU . . . -59.08 -34.43 71.97 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.765 -178.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 23' ' ' ASP . . . -69.92 -34.32 73.33 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.112 0.482 . . . . 0.0 110.658 -177.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -68.53 -38.13 80.6 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.446 -0.797 . . . . 0.0 108.865 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 30' ' ' GLN . 14.7 mm-40 -73.09 -31.59 64.44 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.085 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 27' ' ' ALA . 46.1 mt-10 -62.41 -40.64 97.18 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 174.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.6 -49.49 76.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.112 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -60.31 -42.65 96.01 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.994 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -61.74 -41.14 97.26 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -68.11 -35.67 78.52 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.323 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.57 -34.94 79.42 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.151 0.5 . . . . 0.0 110.562 177.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.05 -58.12 3.87 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.109 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.62 -50.73 72.36 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 16.7 ttt -71.47 -40.76 70.07 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -170.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -72.93 -38.35 66.87 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.712 -178.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -71.55 -47.05 57.53 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.699 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 29.8 p -56.51 -50.44 71.82 Favored 'General case' 0 C--O 1.209 -1.063 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -176.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.4 pt -59.0 -37.99 71.13 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.967 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.747 -178.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.5 mt -75.48 -34.26 60.87 Favored 'General case' 0 C--O 1.206 -1.195 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.163 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.9 -26.76 40.11 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -177.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 42' ' ' SER . 92.9 mt-30 -83.03 -26.96 30.68 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.098 0.475 . . . . 0.0 109.919 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.524 HG13 ' HG ' ' A' ' 83' ' ' LEU . 43.2 t -92.12 -45.69 14.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.03 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.479 HD23 ' HB ' ' A' ' 87' ' ' VAL . 92.6 mt -89.8 129.55 36.18 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -61.93 162.7 8.68 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 174.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -53.52 -36.45 61.78 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 123.608 0.763 . . . . 0.0 110.03 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 m -68.02 -40.77 82.86 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.613 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.28 -35.72 68.8 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.24 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -61.77 -40.37 94.95 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.763 0.316 . . . . 0.0 110.194 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.97 -47.22 69.18 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.661 177.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -57.12 -44.42 83.29 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 122.775 0.43 . . . . 0.0 110.731 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.46 HD21 ' HG2' ' A' ' 71' ' ' GLU . 57.7 tp -62.3 -42.37 99.3 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.2 m -63.02 -38.76 92.48 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 121.566 0.698 . . . . 0.0 110.85 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -72.35 -32.04 66.13 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.573 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -68.82 -36.48 78.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.457 ' HA ' ' OG1' ' A' ' 67' ' ' THR . . . -58.51 -25.5 62.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.838 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.7 mt -81.75 -38.72 25.25 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.685 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -75.14 -38.74 42.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.625 -0.43 . . . . 0.0 112.096 -177.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -169.67 104.68 0.46 Allowed Pre-proline 0 C--O 1.243 0.717 0 C-N-CA 122.812 0.445 . . . . 0.0 111.227 173.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.471 ' HA ' ' OG1' ' A' ' 67' ' ' THR . 49.1 Cg_endo -68.85 -10.16 28.34 Favored 'Trans proline' 0 CA--C 1.534 0.496 0 C-N-CA 123.041 2.494 . . . . 0.0 113.436 -175.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -67.05 -41.1 87.07 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.187 0.517 . . . . 0.0 110.097 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -78.8 -29.22 44.76 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.532 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.471 ' OG1' ' HA ' ' A' ' 64' ' ' PRO . 6.6 m -59.74 -50.9 72.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.187 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -64.6 -30.73 71.76 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.766 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.83 79.54 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.411 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.0 m -71.89 -42.42 69.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.874 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.46 ' HG2' HD21 ' A' ' 56' ' ' LEU . 47.3 mt-10 -56.27 -52.27 65.11 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.664 0.269 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -61.47 -36.17 79.69 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.188 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.01 -48.11 77.62 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.728 177.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.31 -37.78 88.6 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.609 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 71' ' ' GLU . 78.1 mt -55.79 -49.37 75.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 O-C-N 123.372 0.42 . . . . 0.0 110.018 175.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.29 -50.06 71.6 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.493 ' SD ' ' HG3' ' A' ' 82' ' ' GLN . 21.8 mmt -63.51 -32.04 73.38 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -177.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.95 -38.27 85.81 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -65.97 -37.62 86.45 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.026 177.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -78.82 -15.22 58.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.683 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.61 41.35 51.16 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.376 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.493 ' HG3' ' SD ' ' A' ' 77' ' ' MET . 15.4 mm-40 -95.49 2.33 54.35 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.612 0.72 . . . . 0.0 110.481 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.524 ' HG ' HG13 ' A' ' 47' ' ' VAL . 3.7 mm? -111.99 101.71 9.99 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.78 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -84.77 -38.77 19.22 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 175.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -114.49 173.32 6.52 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.73 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -70.79 155.23 41.04 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.453 174.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.479 ' HB ' HD23 ' A' ' 48' ' ' LEU . 59.8 t -97.98 114.16 34.57 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.62 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 173.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.539 ' HB2' ' OE1' ' A' ' 90' ' ' GLN . 13.5 m -82.79 -178.68 7.19 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -61.59 -42.96 99.61 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 118.489 0.586 . . . . 0.0 111.713 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.539 ' OE1' ' HB2' ' A' ' 88' ' ' SER . 0.0 OUTLIER -61.15 -24.15 66.08 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 177.419 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -84.21 -32.91 21.84 Favored Glycine 0 N--CA 1.437 -1.291 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 56.5 tp -71.49 -41.86 68.77 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.18 -33.18 57.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.655 177.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.58 -47.75 82.47 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.909 178.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.423 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 66.8 mt -71.15 -35.6 59.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.975 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.08 -52.6 65.05 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.145 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -63.47 -32.29 73.69 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.222 0.534 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 95' ' ' ILE . 41.2 ttmt -63.37 -50.62 69.2 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.452 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.8 m -79.34 -23.27 12.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.2 t -65.63 -41.15 92.99 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -89.57 -45.06 9.65 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.284 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -125.75 -92.26 0.51 Allowed 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.077 0.465 . . . . 0.0 111.612 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.8 m 179.26 -63.03 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 102.821 -3.029 . . . . 0.0 102.821 -177.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 174.68 88.6 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.682 1.593 . . . . 0.0 108.39 172.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -137.51 36.22 2.47 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-O 123.013 1.387 . . . . 0.0 107.266 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.1 p -72.16 84.76 1.03 Allowed 'General case' 0 C--N 1.274 -2.713 0 CA-C-N 112.592 -2.094 . . . . 0.0 111.975 -177.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.3 m -69.29 -42.36 75.58 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 175.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.0 m -146.91 156.41 43.06 Favored 'General case' 0 N--CA 1.419 -2.003 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 175.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 88.5 t 75.29 94.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.579 0 C-N-CA 124.134 0.973 . . . . 0.0 109.335 -174.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -140.38 -73.05 0.36 Allowed 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 114.225 -1.352 . . . . 0.0 108.802 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -123.78 4.19 8.82 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 123.207 1.48 . . . . 0.0 107.847 170.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 N--CA 1.419 -2.001 0 N-CA-C 102.997 -2.964 . . . . 0.0 102.997 178.548 . . . . . . . . 0 0 . 1 stop_ save_