data_2ly9_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 2ly9 _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 ' 14' ' ' THR . . . . . . . . . . . . . 40.5 p . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 119.484 -0.293 . . . . 74.02 111.111 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.9 -36.26 67.47 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.985 0.514 . . . . 71.41 111.496 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.71 -49.81 64.84 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.936 0.494 . . . . 74.25 111.901 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -62.89 -41.5 99.44 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.674 0.749 . . . . 71.34 111.368 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 tt -70.07 -33.67 72.2 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 125.335 1.454 . . . . 63.41 110.808 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.82 -33.2 70.44 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.257 0.623 . . . . 72.12 112.487 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -65.28 -37.61 87.69 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.198 0.523 . . . . 72.24 110.702 173.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.38 -38.03 89.55 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 115.518 -0.765 . . . . 75.33 110.887 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 94.3 mttt -60.66 -43.54 97.52 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 122.73 0.412 . . . . 73.22 111.828 174.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.94 -41.51 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 123.142 0.577 . . . . 74.11 111.215 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.453 ' HB3' ' HZ ' ' A' ' 54' ' ' PHE . 38.7 t -66.79 -35.66 80.59 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.522 -0.763 . . . . 74.15 112.094 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.512 ' HH ' ' HA ' ' A' ' 58' ' ' ARG . 53.8 t80 -72.07 -38.05 69.52 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 122.737 0.415 . . . . 74.12 111.358 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 87.3 mt -67.06 -38.09 85.18 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.616 0.766 . . . . 72.25 112.027 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HG3' ' ND2' ' A' ' 28' ' ' ASN . 19.8 ptpt -76.11 -39.53 54.98 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.367 0.267 . . . . 75.22 111.377 177.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.456 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 5.3 p30 -159.56 124.98 4.16 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.538 0.735 . . . . 75.13 110.967 174.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -73.15 -14.18 61.32 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.775 0.83 . . . . 64.11 112.537 -173.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -120.66 89.85 45.36 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 124.446 1.099 . . . . 75.52 108.574 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.456 ' HA ' ' OD1' ' A' ' 28' ' ' ASN . 21.3 Cg_exo -65.05 137.04 50.79 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.241 2.627 . . . . 73.34 114.339 -171.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -73.31 149.4 42.7 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.214 0.606 . . . . 75.4 109.95 171.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.38 -40.83 78.99 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.509 0.723 . . . . 63.5 112.629 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.0 m -63.37 -36.9 85.23 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.368 0.667 . . . . 51.44 112.172 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -67.89 -38.66 83.29 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.231 0.612 . . . . 70.31 110.855 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.495 HG21 ' HG3' ' A' ' 47' ' ' LYS . 93.3 mt -64.11 -41.7 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.794 0.837 . . . . 75.11 111.661 176.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.45 -40.13 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 122.625 0.37 . . . . 74.34 110.539 174.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -61.14 -38.31 85.94 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.221 0.608 . . . . 72.25 111.794 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.93 -43.85 94.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.939 0.496 . . . . 71.1 110.658 173.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 82.6 mtp -58.04 -33.61 69.18 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 123.835 0.854 . . . . 74.51 111.893 175.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -69.65 -52.63 24.11 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.499 0.72 . . . . 75.24 112.16 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.6 mm -70.07 -49.42 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.24 0.616 . . . . 74.21 111.776 -174.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.1 p -81.78 -38.19 26.0 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.521 0.728 . . . . 70.14 112.317 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.77 13.58 56.48 Favored Glycine 0 CA--C 1.537 1.413 0 CA-C-N 116.224 -0.444 . . . . 44.34 113.164 -172.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.3 mt -84.9 177.33 8.0 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.737 0.815 . . . . 63.32 112.768 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.9 p -101.54 153.06 20.06 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 114.949 -1.023 . . . . 74.13 110.008 173.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.495 ' HG3' HG21 ' A' ' 36' ' ' ILE . 37.2 ttmt -60.18 -24.77 65.04 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 123.653 0.781 . . . . 74.21 112.001 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.88 -47.61 53.9 Favored Glycine 0 C--N 1.353 1.487 0 CA-C-N 116.34 -0.391 . . . . 54.45 114.009 174.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -61.84 -35.46 78.33 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 123.148 0.579 . . . . 62.41 111.924 176.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.478 HG22 HG22 ' A' ' 36' ' ' ILE . 79.9 mt -68.97 -53.47 25.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 CA-C-N 115.217 -0.902 . . . . 74.13 111.221 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -57.45 -37.16 72.39 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.299 0.639 . . . . 73.1 112.095 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.25 -52.61 64.94 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.791 0.682 . . . . 75.44 110.707 173.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -59.56 -46.92 87.49 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.794 0.838 . . . . 73.23 112.685 -174.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.453 ' HZ ' ' HB3' ' A' ' 24' ' ' SER . 67.9 m-85 -64.74 -29.2 70.17 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 112.818 0.673 . . . . 73.14 112.818 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.5 m -68.63 -38.07 80.24 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 120.809 0.338 . . . . 73.35 110.674 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -67.04 -41.81 85.9 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.179 0.591 . . . . 63.41 111.132 174.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.5 m -73.34 -27.77 61.69 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.026 0.93 . . . . 74.0 111.822 -176.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.512 ' HA ' ' HH ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.164 0 C-N-CA 122.633 0.373 . . . . 74.12 110.585 175.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 p . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 119.822 -0.132 . . . . 71.44 111.163 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -65.28 -35.67 81.74 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.145 0.429 . . . . 65.32 111.899 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -72.23 -37.68 69.11 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.642 0.777 . . . . 74.2 111.532 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -70.39 -42.96 71.02 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.28 0.632 . . . . 72.53 111.023 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.8 -34.88 79.4 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.908 1.283 . . . . 74.42 110.569 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.11 90.43 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.668 0.787 . . . . 70.24 112.397 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -67.05 -40.69 87.17 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.003 0.521 . . . . 73.44 111.485 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.431 HD21 HG22 ' A' ' 50' ' ' ILE . 63.7 mt -66.69 -33.03 74.75 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.146 -0.934 . . . . 73.12 111.012 176.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.422 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 5.5 tmtt? -67.7 -49.9 60.33 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.213 1.005 . . . . 74.52 109.929 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.64 -38.93 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.699 0.8 . . . . 71.14 111.289 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.5 t -69.66 -26.26 64.3 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 115.751 -0.659 . . . . 73.53 111.737 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.453 ' HB2' ' HZ3' ' A' ' 53' ' ' TRP . 66.4 t80 -76.87 -34.43 57.8 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.551 0.74 . . . . 72.34 110.994 174.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 95.2 mt -65.29 -42.71 92.86 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.655 0.782 . . . . 72.41 111.496 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -70.28 -35.79 73.96 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 122.296 0.239 . . . . 75.33 111.327 176.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -167.43 128.24 1.49 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.565 0.746 . . . . 73.42 110.804 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -68.77 -25.66 64.83 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.114 0.566 . . . . 74.44 112.204 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -124.23 73.31 58.14 Favored Pre-proline 0 CA--C 1.559 1.294 0 C-N-CA 123.716 0.807 . . . . 74.54 109.873 177.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -72.97 151.97 51.06 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.225 1.95 . . . . 74.34 111.96 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -65.32 153.4 41.26 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.673 0.389 . . . . 74.24 111.034 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -66.08 -17.69 64.86 Favored 'General case' 0 CA--C 1.564 1.511 0 N-CA-C 112.653 0.612 . . . . 75.1 112.653 -173.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.1 m -67.31 -35.29 79.14 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.516 0.727 . . . . 73.32 111.631 172.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.64 -42.91 90.92 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.046 0.538 . . . . 73.12 110.031 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -58.65 -37.84 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 124.251 1.021 . . . . 75.35 112.184 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.475 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 36.7 mm -54.65 -50.34 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 C-N-CA 123.319 0.648 . . . . 65.52 111.126 173.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -66.24 -40.72 90.41 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.425 -0.807 . . . . 72.12 111.273 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.57 -37.55 86.64 Favored 'General case' 0 C--O 1.21 -1.017 0 C-N-CA 123.467 0.707 . . . . 72.22 111.353 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.475 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 68.4 mtm -61.85 -32.89 73.26 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 118.657 0.662 . . . . 70.03 111.872 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -73.49 -41.74 62.74 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.061 0.545 . . . . 75.22 111.595 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.8 mm -78.14 -45.14 27.3 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 C-N-CA 122.994 0.518 . . . . 75.45 111.563 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.9 p -77.44 -52.44 9.1 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.597 0.759 . . . . 64.54 111.452 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.42 -3.99 37.42 Favored Glycine 0 CA--C 1.538 1.496 0 CA-C-N 116.142 -0.481 . . . . 71.32 113.091 -171.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -75.5 173.96 10.29 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.848 0.859 . . . . 74.22 111.737 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.9 p -102.36 175.78 5.4 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.41 0.684 . . . . 75.45 112.235 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -55.49 -52.08 64.84 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 125.143 1.377 . . . . 74.44 112.356 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.46 -35.53 55.9 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-N 115.336 -0.847 . . . . 71.51 114.039 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -53.77 -53.03 57.94 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.65 0.78 . . . . 71.42 111.993 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.431 HG22 HD21 ' A' ' 21' ' ' LEU . 48.8 mt -64.53 -42.0 93.92 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 CA-C-N 115.625 -0.716 . . . . 74.42 111.956 -177.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -59.63 -42.03 91.81 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 111.763 0.282 . . . . 73.3 111.763 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -63.52 -31.91 73.21 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.443 0.697 . . . . 73.13 112.221 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.453 ' HZ3' ' HB2' ' A' ' 25' ' ' TYR . 77.3 t90 -68.6 -50.95 47.61 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 117.9 0.318 . . . . 73.43 110.704 177.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.436 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 74.4 m-85 -66.45 -36.18 82.14 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 122.654 0.382 . . . . 74.42 111.825 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 t -67.07 -49.89 63.61 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.087 0.555 . . . . 75.25 111.489 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -75.89 -45.97 32.58 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.113 -0.494 . . . . 74.32 112.082 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.7 m -59.08 -35.15 72.88 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.67 0.788 . . . . 74.23 111.548 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 2.6 tmm_? . . . . . 0 CA--C 1.557 1.228 0 C-N-CA 123.717 0.807 . . . . 72.2 110.742 174.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.6 p . . . . . 0 N--CA 1.486 1.35 0 N-CA-C 112.069 0.396 . . . . 73.53 112.069 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -63.07 -50.59 69.98 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.93 0.715 . . . . 72.54 112.93 -169.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 1.2 pm0 -62.21 -27.37 68.93 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 112.576 0.584 . . . . 64.43 112.576 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.87 -50.74 61.53 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.212 0.53 . . . . 65.45 110.887 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.445 HD23 ' HE1' ' A' ' 53' ' ' TRP . 92.8 mt -63.95 -30.88 71.92 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 115.672 -0.695 . . . . 70.42 112.084 177.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.43 -47.21 82.83 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.951 0.9 . . . . 61.44 111.995 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.515 ' HG3' HG22 ' A' ' 42' ' ' ILE . 18.7 mm-40 -63.85 -38.74 92.21 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.062 0.545 . . . . 75.12 111.268 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 HD11 HD11 ' A' ' 45' ' ' LEU . 98.5 mt -64.57 -37.21 86.78 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 115.227 -0.897 . . . . 71.41 111.538 176.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -72.86 -34.2 66.59 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 112.732 0.642 . . . . 74.31 112.732 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.3 -42.52 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-O 121.273 0.559 . . . . 71.54 110.112 172.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 t -64.24 -37.32 87.07 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 115.26 -0.882 . . . . 74.01 111.447 173.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.445 ' OH ' ' HA ' ' A' ' 58' ' ' ARG . 85.2 t80 -69.19 -47.93 63.53 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.613 0.765 . . . . 74.31 112.534 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.38 -34.1 76.06 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.079 0.552 . . . . 74.31 111.517 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -74.73 -47.87 28.95 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 123.709 0.804 . . . . 74.44 111.015 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 31' ' ' PRO . 1.6 p-10 -146.59 105.37 3.84 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.666 1.186 . . . . 75.24 110.664 -174.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -71.15 -24.08 62.19 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.279 0.632 . . . . 73.15 110.791 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -126.86 92.29 44.97 Favored Pre-proline 0 CA--C 1.564 1.514 0 C-N-CA 124.5 1.12 . . . . 74.33 109.429 178.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HB3' ' ND2' ' A' ' 28' ' ' ASN . 41.7 Cg_endo -87.96 169.73 6.37 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 123.197 2.598 . . . . 62.54 114.327 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -82.98 169.23 16.21 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.808 0.843 . . . . 71.34 111.535 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.87 -45.79 90.91 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.53 0.732 . . . . 74.51 112.059 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.0 t -62.34 -32.2 72.94 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.918 0.887 . . . . 63.11 112.353 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -62.26 -47.93 82.16 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.102 0.561 . . . . 73.22 110.864 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' A' ' 40' ' ' MET . 66.2 mt -63.39 -38.01 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 CA-C-N 115.105 -0.952 . . . . 75.32 111.534 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.644 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 78.9 mt -59.8 -46.24 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 123.138 0.575 . . . . 73.51 111.315 176.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -58.76 -49.52 77.35 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.709 -0.678 . . . . 73.15 110.91 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.54 -31.15 67.67 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.683 0.793 . . . . 72.22 112.569 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.644 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 52.7 mtm -62.82 -40.7 98.2 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 120.878 0.37 . . . . 74.12 111.267 175.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -77.23 -32.29 55.69 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.337 0.655 . . . . 73.42 112.249 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.515 HG22 ' HG3' ' A' ' 20' ' ' GLU . 45.6 mm -76.56 -39.25 32.51 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.134 0 C-N-CA 122.957 0.503 . . . . 72.01 110.732 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.7 p -90.65 -61.62 1.63 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.644 0.378 . . . . 74.13 111.333 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.66 -3.91 8.66 Favored Glycine 0 N--CA 1.481 1.639 0 C-N-CA 123.309 0.48 . . . . 61.2 112.744 -172.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.468 HD11 HD11 ' A' ' 21' ' ' LEU . 85.5 mt -85.43 172.58 10.92 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.843 0.857 . . . . 73.33 112.089 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.7 p -96.57 163.58 12.97 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.498 0.719 . . . . 75.21 111.024 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -57.98 -40.36 80.47 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.793 0.837 . . . . 71.32 112.164 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.19 -42.05 99.72 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-N 116.487 -0.324 . . . . 71.14 113.457 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -65.23 -41.36 94.48 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.232 0.613 . . . . 72.25 111.819 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.2 mt -74.03 -43.28 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.234 0.613 . . . . 73.41 112.005 -174.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -60.31 -45.1 94.57 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 122.662 0.385 . . . . 75.1 111.03 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -62.1 -39.97 94.28 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.695 -0.684 . . . . 75.1 111.101 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.445 ' HE1' HD23 ' A' ' 18' ' ' LEU . 85.9 t90 -57.98 -48.19 80.75 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 122.734 0.414 . . . . 74.45 111.134 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 52.9 m-85 -59.34 -31.01 68.8 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 122.99 0.516 . . . . 75.45 112.114 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 t -70.26 -53.72 15.72 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.407 0.683 . . . . 72.12 111.718 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.82 -35.87 81.9 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.849 0.86 . . . . 71.02 112.69 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.9 m -75.16 -27.75 59.84 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.523 0.729 . . . . 63.23 110.88 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 C-N-CA 123.065 0.546 . . . . 75.15 110.116 170.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.0 p . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 110.073 -0.343 . . . . 74.53 110.073 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -62.4 -36.21 81.61 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.412 0.285 . . . . 74.03 110.279 174.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.05 -50.15 71.78 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.683 0.793 . . . . 61.55 112.082 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 92.8 mt-30 -66.07 -46.64 76.99 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.539 0.736 . . . . 65.52 111.457 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.95 -33.73 76.48 Favored 'General case' 0 CA--C 1.563 1.453 0 C-N-CA 124.573 1.149 . . . . 72.24 111.128 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.411 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -66.59 -40.84 89.09 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.467 0.707 . . . . 71.33 112.551 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -65.49 -35.72 81.74 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 121.223 0.535 . . . . 74.24 111.566 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.525 HD23 HG22 ' A' ' 50' ' ' ILE . 71.7 mt -64.46 -34.84 79.14 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 115.59 -0.732 . . . . 64.44 110.995 174.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -67.82 -39.9 83.86 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.258 0.623 . . . . 72.51 111.991 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 19' ' ' ALA . 94.0 t -57.39 -35.0 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 122.918 0.487 . . . . 73.2 111.331 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.7 t -74.74 -50.03 18.9 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.816 0.446 . . . . 73.35 111.757 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.425 ' HB2' ' HZ3' ' A' ' 53' ' ' TRP . 57.1 t80 -59.39 -36.54 76.01 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.526 1.13 . . . . 75.35 112.973 -173.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.18 -17.5 61.93 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.635 0.774 . . . . 75.21 113.034 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -89.07 -57.32 2.94 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 109.504 -0.554 . . . . 75.53 109.504 166.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -145.97 137.69 25.02 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.297 0.639 . . . . 72.23 110.348 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -72.12 -34.64 68.73 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.813 0.445 . . . . 73.33 110.932 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' HE1' ' HD3' ' A' ' 58' ' ' ARG . 89.1 m-85 -131.94 87.33 44.93 Favored Pre-proline 0 CA--C 1.558 1.281 0 C-N-CA 123.701 0.8 . . . . 75.54 110.336 177.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -80.29 -174.69 2.36 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 123.186 2.591 . . . . 75.34 113.107 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -68.18 157.71 34.81 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.672 0.389 . . . . 74.3 111.418 174.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.443 ' O ' HG13 ' A' ' 37' ' ' ILE . 9.4 p-10 -63.1 -28.06 69.81 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 112.427 0.529 . . . . 75.11 112.427 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.2 p -63.57 -39.09 93.5 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.639 0.776 . . . . 71.5 112.302 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -65.45 -36.19 83.17 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.766 0.826 . . . . 73.41 110.75 176.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -68.79 -33.89 61.79 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 CA-C-N 115.041 -0.982 . . . . 71.02 111.213 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 33' ' ' ASP . 84.3 mt -67.42 -35.45 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 123.063 0.545 . . . . 74.44 110.851 174.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -57.06 -45.93 82.86 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 122.917 0.487 . . . . 63.54 110.538 170.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.433 ' HB2' HD11 ' A' ' 50' ' ' ILE . 64.7 mt -63.84 -38.45 91.15 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 115.737 -0.665 . . . . 75.04 111.261 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.6 mtp -62.13 -35.9 80.16 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 123.596 0.758 . . . . 73.13 111.97 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -72.16 -23.12 61.24 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.503 0.721 . . . . 72.04 112.864 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.9 mm -100.7 -38.18 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 122.635 0.374 . . . . 74.02 111.579 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.1 p -85.65 -29.77 23.76 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.604 0.762 . . . . 73.4 111.751 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.46 8.44 87.76 Favored Glycine 0 CA--C 1.541 1.706 0 CA-C-N 116.525 -0.307 . . . . 73.14 113.536 -173.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -90.68 -175.25 4.35 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.939 0.896 . . . . 75.33 111.149 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.8 p -109.04 172.5 6.81 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.555 0.342 . . . . 74.42 110.166 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -54.76 -34.43 62.56 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.552 0.741 . . . . 73.41 111.558 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.21 -47.8 89.07 Favored Glycine 0 CA--C 1.539 1.573 0 N-CA-C 114.932 0.733 . . . . 62.33 114.932 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -66.58 -35.22 79.69 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 117.429 0.615 . . . . 75.1 111.639 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.525 HG22 HD23 ' A' ' 21' ' ' LEU . 69.0 mt -74.17 -42.46 51.48 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 CA-C-N 115.457 -0.792 . . . . 74.33 111.74 -177.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' HZ3' ' HD2' ' A' ' 30' ' ' PHE . 29.8 mmmt -66.34 -41.31 89.77 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.42 0.688 . . . . 74.45 111.263 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -57.91 -41.05 81.86 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.355 0.662 . . . . 63.52 111.106 172.55 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.425 ' HZ3' ' HB2' ' A' ' 25' ' ' TYR . 80.1 t90 -65.28 -48.25 73.81 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.281 -0.418 . . . . 65.04 111.102 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -56.13 -43.01 77.81 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.163 0.585 . . . . 74.02 111.97 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -68.6 -51.21 44.97 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.53 0.732 . . . . 62.31 112.13 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.54 -27.33 67.67 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.629 0.771 . . . . 64.5 112.754 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.6 m -72.38 -28.31 62.93 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 122.768 0.427 . . . . 74.33 111.289 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.561 ' HD3' ' HE1' ' A' ' 30' ' ' PHE . 56.2 mtm180 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.915 -0.491 . . . . 74.44 110.776 170.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.7 p . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 110.466 -0.198 . . . . 63.01 110.466 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.69 -30.75 70.12 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.14 0.576 . . . . 75.34 111.494 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.53 -49.77 61.79 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.032 0.933 . . . . 70.23 110.406 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -63.72 -40.67 97.33 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.706 0.803 . . . . 74.33 111.915 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.37 -37.77 86.04 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.504 1.122 . . . . 71.43 110.954 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.59 84.2 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.276 0.63 . . . . 75.42 112.345 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -62.04 -41.43 98.11 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.321 0.582 . . . . 73.22 110.841 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.68 -34.59 75.94 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 115.11 -0.95 . . . . 74.34 111.433 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -67.8 -43.82 78.8 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.343 0.657 . . . . 73.34 112.232 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.15 -38.58 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 122.617 0.367 . . . . 75.32 110.786 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.9 t -65.12 -35.98 82.82 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.113 0.565 . . . . 72.1 111.414 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -68.42 -41.13 80.82 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.53 0.732 . . . . 75.12 111.666 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.1 -37.67 83.59 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.437 0.695 . . . . 72.14 111.707 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -74.68 -41.59 59.98 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.888 0.475 . . . . 75.22 111.771 175.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -159.65 126.83 4.62 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 122.673 0.389 . . . . 72.22 111.339 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -73.64 -19.54 60.82 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.28 0.632 . . . . 74.12 112.289 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -117.59 80.89 13.86 Favored Pre-proline 0 CA--C 1.558 1.279 0 C-N-CA 123.872 0.869 . . . . 73.42 110.793 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.94 131.99 20.62 Favored 'Trans proline' 0 C--N 1.374 1.919 0 C-N-CA 122.096 1.864 . . . . 75.21 111.545 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -70.99 142.46 50.97 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.968 0.507 . . . . 73.35 110.496 177.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.402 ' HA ' HD13 ' A' ' 36' ' ' ILE . 5.2 m-20 -55.22 -27.11 43.83 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.996 1.11 . . . . 75.21 113.996 -174.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.3 p -65.58 -48.71 71.43 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.473 0.709 . . . . 72.2 111.318 171.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 38' ' ' ARG . 43.4 tt0 -67.52 -26.03 66.13 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.098 0.959 . . . . 72.24 111.971 175.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.62 HD12 ' HG2' ' A' ' 51' ' ' LYS . 93.1 mt -69.71 -33.98 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 122.81 0.444 . . . . 72.54 110.518 175.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.12 -35.21 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 122.513 0.325 . . . . 63.53 110.501 171.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 56.3 ttt85 -59.28 -50.98 71.9 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 122.725 0.41 . . . . 73.21 110.462 170.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.32 -25.53 68.08 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.496 0.718 . . . . 75.34 112.383 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 86.5 mtp -70.57 -32.95 70.55 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.042 0.537 . . . . 64.21 110.906 174.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -81.04 -24.35 37.94 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.274 0.629 . . . . 71.31 112.029 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.0 mm -83.75 -57.6 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.385 0.674 . . . . 72.21 111.095 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -80.77 -34.07 34.48 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 112.514 0.561 . . . . 72.52 112.514 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.91 12.87 78.97 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 116.869 -0.151 . . . . 73.24 113.364 -174.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.7 mt -88.92 164.24 15.23 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.558 0.743 . . . . 73.55 110.515 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.5 p -79.01 161.87 26.32 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.643 0.377 . . . . 63.22 111.111 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -55.47 -41.72 73.36 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.231 0.612 . . . . 75.45 111.18 172.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.91 -37.64 94.94 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 116.057 -0.52 . . . . 73.44 113.743 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -71.92 -44.15 64.12 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 117.167 0.484 . . . . 72.12 111.701 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.3 mt -65.1 -52.27 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 123.27 0.628 . . . . 72.25 111.792 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.62 ' HG2' HD12 ' A' ' 36' ' ' ILE . 35.8 mtpt -62.12 -42.51 99.31 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 112.22 0.452 . . . . 75.32 112.22 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HZ2' ' HB3' ' A' ' 52' ' ' LYS . 7.1 ttpm? -66.49 -31.89 72.91 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 123.076 0.55 . . . . 71.31 110.956 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -62.57 -49.88 73.51 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.949 0.5 . . . . 74.51 110.138 172.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -64.55 -34.63 78.68 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.334 0.654 . . . . 74.21 111.586 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 m -67.58 -39.68 84.87 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.323 0.649 . . . . 74.54 111.103 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.26 -47.26 74.28 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.833 0.453 . . . . 73.54 110.73 175.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.2 m -63.75 -33.01 74.71 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 123.561 0.744 . . . . 73.3 111.171 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 . . . . . 0 N--CA 1.49 1.561 0 C-N-CA 123.588 0.755 . . . . 74.23 111.786 170.887 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 110.696 -0.113 . . . . 61.03 110.696 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.14 -25.87 65.83 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.881 0.472 . . . . 75.0 111.654 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -58.24 -50.69 72.68 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.45 1.1 . . . . 65.54 110.876 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 93.0 mt-30 -69.02 -50.41 48.96 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 114.618 -1.174 . . . . 74.13 110.944 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.12 -38.79 80.46 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 125.648 1.579 . . . . 72.53 111.719 -173.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.33 -38.7 78.32 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.41 0.684 . . . . 72.43 112.363 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -66.81 -34.14 77.16 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.042 0.449 . . . . 74.53 111.679 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.565 HD22 HG21 ' A' ' 50' ' ' ILE . 74.7 mt -66.07 -36.75 84.05 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.747 -0.66 . . . . 74.43 110.819 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 97.1 mttt -62.07 -38.08 87.44 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.153 0.581 . . . . 75.31 112.078 175.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.8 -42.63 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 123.066 0.546 . . . . 64.44 110.945 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.3 t -67.98 -38.09 82.29 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 115.707 -0.679 . . . . 71.15 111.584 175.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.534 ' HH ' ' HA ' ' A' ' 58' ' ' ARG . 92.7 t80 -64.03 -38.76 92.26 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.511 0.724 . . . . 75.31 111.933 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 98.1 mt -62.18 -27.36 68.91 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.48 0.712 . . . . 74.02 111.575 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -80.09 -50.57 10.15 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-O 121.349 0.595 . . . . 74.24 110.05 172.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.46 135.74 3.06 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 114.733 -1.122 . . . . 52.45 111.639 -170.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -73.24 -31.88 64.39 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.884 0.85 . . . . 70.32 110.191 172.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -117.07 87.47 23.08 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.197 0.999 . . . . 72.21 108.804 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.59 178.09 5.45 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.859 2.373 . . . . 74.4 113.278 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -62.68 -79.35 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.793 0.837 . . . . 73.42 111.196 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -179.73 -52.15 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.579 1.152 . . . . 74.42 108.155 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.1 p -58.74 -40.72 84.62 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.701 1.201 . . . . 63.43 112.806 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.26 -41.0 83.32 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.4 0.68 . . . . 71.12 111.156 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.45 HG21 ' HG3' ' A' ' 47' ' ' LYS . 33.8 mt -70.85 -37.94 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 123.399 0.68 . . . . 75.12 111.099 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.541 ' HA ' ' HE3' ' A' ' 40' ' ' MET . 79.5 mt -62.5 -41.52 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 C-N-CA 123.424 0.69 . . . . 74.32 110.967 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -58.39 -46.73 85.82 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.001 0.92 . . . . 71.53 110.761 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.4 -37.99 82.58 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.501 0.72 . . . . 71.24 111.744 175.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.541 ' HE3' ' HA ' ' A' ' 37' ' ' ILE . 49.4 mtm -59.83 -42.11 92.83 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-O 121.07 0.462 . . . . 71.24 111.515 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.03 -36.84 67.02 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 115.42 -0.809 . . . . 72.33 112.23 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.6 mm -74.2 -57.1 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 123.122 0.569 . . . . 72.34 111.41 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.0 p -76.91 -43.66 34.7 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.576 0.75 . . . . 72.3 112.422 -173.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.11 -2.9 37.94 Favored Glycine 0 N--CA 1.481 1.695 0 CA-C-N 116.446 -0.343 . . . . 73.12 113.163 -174.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 mt -80.9 162.29 24.0 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.943 0.897 . . . . 74.11 111.395 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.6 p -88.95 160.74 17.0 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 122.65 0.38 . . . . 74.24 110.549 173.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' HG3' HG21 ' A' ' 36' ' ' ILE . 38.0 ttmt -55.99 -39.7 72.23 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.763 0.825 . . . . 73.51 111.461 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.61 -43.4 98.99 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 115.836 -0.62 . . . . 65.24 113.664 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.45 -39.28 91.86 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.694 0.798 . . . . 74.23 112.567 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.565 HG21 HD22 ' A' ' 21' ' ' LEU . 92.7 mt -67.85 -47.91 77.51 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.07 0 C-N-CA 123.708 0.803 . . . . 74.13 111.192 -178.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.525 ' HA ' ' HD2' ' A' ' 54' ' ' PHE . 7.3 mtpm? -70.27 -29.04 65.71 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.108 0.563 . . . . 74.34 111.699 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -63.89 -43.49 95.84 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.774 0.83 . . . . 72.34 110.665 171.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -61.36 -43.79 98.28 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 114.795 -1.093 . . . . 71.24 111.643 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.525 ' HD2' ' HA ' ' A' ' 51' ' ' LYS . 39.0 m-85 -55.34 -34.73 64.49 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 123.509 0.724 . . . . 64.44 112.781 -178.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.3 m -61.88 -48.34 80.94 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.688 0.795 . . . . 74.1 111.806 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -71.34 -29.21 64.72 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.316 0.646 . . . . 75.42 112.007 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.3 m -67.73 -31.71 71.82 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 113.1 0.778 . . . . 75.31 113.1 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.534 ' HA ' ' HH ' ' A' ' 25' ' ' TYR . 19.0 ttt180 . . . . . 0 CA--C 1.551 0.991 0 CA-C-N 118.649 0.658 . . . . 74.13 111.214 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 111.74 0.274 . . . . 74.13 111.74 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -51.17 -47.58 62.12 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.516 1.126 . . . . 65.13 112.241 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -66.32 -45.97 78.46 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.225 0.61 . . . . 63.0 112.355 -174.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -60.33 -50.38 73.84 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.432 0.693 . . . . 73.14 112.094 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.76 -38.54 89.36 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.357 0.663 . . . . 62.2 110.451 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.87 89.72 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.485 0.714 . . . . 73.43 112.35 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -64.83 -33.19 75.4 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 111.91 0.337 . . . . 73.2 111.91 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.82 -38.74 80.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.052 0.541 . . . . 75.42 111.22 173.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -62.77 -45.08 94.34 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.291 0.636 . . . . 75.24 111.227 175.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.05 -41.93 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 123.424 0.69 . . . . 74.02 110.654 174.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -66.59 -27.97 68.14 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 116.042 -0.526 . . . . 71.15 112.108 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -72.96 -34.98 66.85 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.475 0.71 . . . . 74.44 110.776 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.56 -39.9 84.94 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.248 0.619 . . . . 65.54 110.77 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -65.71 -56.79 10.19 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.204 1.002 . . . . 74.5 111.614 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -153.01 125.37 8.12 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.211 1.005 . . . . 74.43 109.898 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -74.43 -20.41 60.05 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.62 0.768 . . . . 74.44 111.664 -172.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -136.18 81.58 37.82 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.629 0.771 . . . . 73.51 109.795 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.99 133.27 30.55 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.675 2.25 . . . . 74.24 111.787 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -68.73 -70.95 0.24 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.53 0.732 . . . . 73.13 111.606 -172.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.443 ' O ' HG12 ' A' ' 37' ' ' ILE . 1.1 p30 -159.32 -43.23 0.05 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.637 0.775 . . . . 73.12 111.522 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.4 t -58.52 -43.43 89.14 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 123.598 0.759 . . . . 72.25 112.571 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.24 -38.18 89.56 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 121.224 0.535 . . . . 75.13 110.551 175.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.517 HG21 ' HD2' ' A' ' 47' ' ' LYS . 54.2 mt -68.91 -31.43 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 C-N-CA 123.55 0.74 . . . . 74.42 111.402 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 33' ' ' ASP . 46.7 mm -57.81 -46.2 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 123.239 0.616 . . . . 74.45 110.161 175.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -56.99 -58.55 7.66 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.239 -0.891 . . . . 72.21 110.686 170.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.2 mt -55.53 -36.72 67.06 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.933 0.893 . . . . 73.41 113.071 -174.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 74.5 mtm -69.01 -40.68 78.54 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.873 0.469 . . . . 75.21 111.888 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -79.94 -25.93 40.26 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.771 0.428 . . . . 71.43 111.92 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.6 mm -81.74 -56.31 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 C-N-CA 123.534 0.733 . . . . 72.13 111.257 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.8 p -83.14 -38.79 21.92 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.806 0.443 . . . . 74.24 112.079 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.34 -22.68 28.52 Favored Glycine 0 N--CA 1.477 1.37 0 CA-C-N 116.127 -0.488 . . . . 53.21 112.572 -172.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.31 136.56 49.89 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.011 0.924 . . . . 74.03 111.581 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.6 p -82.94 177.54 8.58 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.941 1.089 . . . . 75.02 113.941 -170.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.517 ' HD2' HG21 ' A' ' 36' ' ' ILE . 24.4 tptm -54.86 -55.85 25.92 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.655 1.182 . . . . 74.2 112.604 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.13 -33.33 84.99 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-N 116.103 -0.498 . . . . 51.12 113.687 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -61.16 -47.61 85.38 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 124.133 0.973 . . . . 72.54 111.552 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.7 mt -68.83 -49.19 66.06 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 124.175 0.99 . . . . 75.42 111.273 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -55.9 -34.05 65.2 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.519 0.728 . . . . 74.1 112.476 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -65.03 -50.17 67.31 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.756 0.822 . . . . 75.41 110.25 174.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -57.42 -48.3 79.48 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.863 0.865 . . . . 75.31 112.632 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -61.81 -29.2 70.0 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.469 0.708 . . . . 75.34 112.779 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.4 m -66.48 -48.09 71.0 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 122.818 0.447 . . . . 63.52 111.279 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -71.97 -29.1 63.9 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.414 0.686 . . . . 73.41 112.046 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.0 m -73.61 -37.66 65.34 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.2 0.6 . . . . 73.53 111.036 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 . . . . . 0 N--CA 1.481 1.084 0 C-N-CA 122.81 0.444 . . . . 75.32 110.779 170.412 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 111.88 0.326 . . . . 72.24 111.88 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -56.39 -61.07 2.66 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 124.13 0.972 . . . . 74.41 113.031 -169.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -26.53 46.65 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 112.24 0.459 . . . . 73.03 112.24 -175.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -66.66 -47.35 72.79 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.392 0.677 . . . . 74.32 111.125 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.513 HD23 ' HE3' ' A' ' 22' ' ' LYS . 3.0 tt -63.12 -38.03 89.57 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.434 1.094 . . . . 73.42 109.917 175.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.78 88.63 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.586 0.754 . . . . 74.14 112.451 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -69.49 -32.74 71.79 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.689 0.396 . . . . 72.54 112.04 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.99 -32.69 74.09 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.8 0.44 . . . . 73.43 110.976 173.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.513 ' HE3' HD23 ' A' ' 18' ' ' LEU . 99.0 mttt -64.22 -51.08 65.42 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.178 0.591 . . . . 75.13 110.998 174.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.9 t -59.24 -37.56 69.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 123.496 0.718 . . . . 73.5 110.821 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.9 t -69.26 -38.56 78.49 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.663 -0.699 . . . . 73.11 111.364 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.458 ' CD1' ' HB3' ' A' ' 29' ' ' GLN . 89.3 t80 -61.89 -44.37 96.93 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.003 0.921 . . . . 65.44 111.406 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.27 -46.76 85.45 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.024 0.929 . . . . 72.33 112.486 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -79.95 -36.89 35.54 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.385 0.513 . . . . 73.33 112.385 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -164.85 100.44 0.78 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.971 0.509 . . . . 70.13 111.805 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HB3' ' CD1' ' A' ' 25' ' ' TYR . 5.8 pt20 -80.9 -3.14 50.36 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.707 0.632 . . . . 75.12 112.707 175.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -128.09 76.55 77.68 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 123.299 0.64 . . . . 74.2 110.989 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.65 149.64 21.1 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 122.562 2.175 . . . . 62.11 112.464 172.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -79.99 -71.32 0.46 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.278 0.631 . . . . 74.51 111.559 -173.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -155.4 -54.95 0.09 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.946 0.498 . . . . 75.21 109.917 -177.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.8 m -59.28 -46.12 89.39 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.886 0.874 . . . . 65.34 112.594 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.45 -30.76 71.79 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.665 0.786 . . . . 72.4 111.398 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.567 HG21 ' HG3' ' A' ' 47' ' ' LYS . 17.9 mt -72.64 -43.39 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.802 178.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.9 mt -65.39 -33.96 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 123.113 0.565 . . . . 74.11 110.879 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -52.55 -55.63 20.84 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.436 0.694 . . . . 74.54 109.923 167.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -56.43 -43.1 79.09 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.757 0.823 . . . . 70.24 112.145 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.492 ' HE2' ' HA ' ' A' ' 46' ' ' THR . 89.5 mtp -60.86 -38.1 84.42 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.629 0.772 . . . . 71.33 112.138 -177.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -86.19 -19.33 30.21 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 112.585 0.587 . . . . 74.22 112.585 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.8 mm -78.4 -45.41 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 CA-C-O 121.544 0.688 . . . . 71.43 110.484 171.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.4 p -94.45 -55.26 3.22 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.038 0.935 . . . . 72.22 111.936 -170.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.65 22.87 6.17 Favored Glycine 0 N--CA 1.481 1.66 0 C-N-CA 123.091 0.377 . . . . 74.42 112.513 -172.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.8 mt -99.08 175.98 5.72 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.163 0.985 . . . . 73.24 111.886 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.492 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 39.6 p -102.1 155.55 18.12 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 116.031 -0.531 . . . . 73.12 110.771 173.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.567 ' HG3' HG21 ' A' ' 36' ' ' ILE . 35.3 ttpt -58.92 -32.33 69.46 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.87 0.868 . . . . 75.32 112.701 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.51 -52.84 35.96 Favored Glycine 0 CA--C 1.54 1.628 0 CA-C-N 116.134 -0.484 . . . . 63.23 113.566 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.02 -33.78 75.0 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 123.622 0.769 . . . . 71.02 112.492 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.46 -46.02 84.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.178 0 C-N-CA 123.286 0.634 . . . . 73.34 111.357 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.75 -40.92 98.77 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 120.795 0.331 . . . . 74.43 111.753 175.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.5 -33.22 75.42 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.314 0.646 . . . . 75.31 111.595 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -64.28 -48.06 77.14 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.476 0.485 . . . . 74.5 110.334 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -60.53 -40.02 89.95 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.946 0.499 . . . . 72.53 111.56 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 t -64.35 -40.98 96.94 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.389 0.676 . . . . 74.45 111.791 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.21 -48.96 66.3 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.35 0.66 . . . . 60.02 111.013 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.5 m -59.14 -41.5 88.45 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.749 0.82 . . . . 74.41 111.104 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 . . . . . 0 N--CA 1.485 1.295 0 C-N-CA 123.626 0.77 . . . . 72.04 111.863 173.111 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.8 p . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.766 -0.457 . . . . 72.23 109.766 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -64.45 -36.28 83.65 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.655 0.613 . . . . 74.01 112.655 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.99 -35.84 64.47 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 112.551 0.574 . . . . 64.54 112.551 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -65.65 -47.35 75.86 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-O 121.197 0.522 . . . . 63.32 110.477 171.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.715 ' HG ' ' HE1' ' A' ' 53' ' ' TRP . 5.1 tt -56.83 -38.68 72.97 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.531 1.532 . . . . 73.45 110.881 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.27 -45.5 93.1 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.285 1.034 . . . . 73.41 112.697 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -67.17 -35.67 80.16 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.37 0.668 . . . . 74.53 112.036 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.517 HD22 HG22 ' A' ' 50' ' ' ILE . 56.8 mt -69.38 -34.96 75.32 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.402 -0.817 . . . . 70.45 111.245 176.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -58.85 -41.67 87.51 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.683 0.793 . . . . 71.51 111.4 174.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.3 t -55.65 -38.64 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 123.623 0.769 . . . . 72.04 111.599 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 t -72.46 -46.45 54.87 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.103 0.561 . . . . 70.12 111.629 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -59.78 -39.69 85.75 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.183 0.993 . . . . 74.34 112.395 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.42 -31.96 73.39 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.613 0.765 . . . . 73.12 112.013 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -75.41 -47.77 25.88 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.031 0.533 . . . . 74.41 110.245 171.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -171.83 142.12 1.48 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.759 0.823 . . . . 71.52 110.807 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.536 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 62.6 tt0 -65.94 -25.99 67.38 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.366 0.667 . . . . 75.02 111.704 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -117.19 80.36 11.96 Favored Pre-proline 0 CA--C 1.563 1.478 0 C-N-CA 123.685 0.794 . . . . 71.33 110.215 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -82.33 -175.65 2.6 Favored 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 122.759 2.306 . . . . 72.31 113.813 -172.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -60.81 154.25 22.4 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.082 0.553 . . . . 63.13 112.33 172.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.46 -48.41 81.24 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.585 0.754 . . . . 74.54 110.289 174.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.4 m -63.17 -28.85 70.33 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.109 -0.951 . . . . 65.34 112.501 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.16 -47.87 75.51 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.275 0.63 . . . . 72.35 111.193 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.479 HD11 ' HD3' ' A' ' 51' ' ' LYS . 25.0 mt -60.5 -40.42 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 123.317 0.647 . . . . 73.3 110.674 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.403 HG23 ' HE2' ' A' ' 41' ' ' LYS . 75.5 mt -64.45 -40.07 87.77 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 C-N-CA 123.665 0.786 . . . . 74.24 111.559 175.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -61.79 -42.03 98.48 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.537 0.735 . . . . 73.42 109.885 176.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.62 -34.6 78.6 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.539 0.736 . . . . 74.5 111.561 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.3 mtm -61.26 -38.34 86.35 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 120.998 0.428 . . . . 75.35 111.315 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' HE2' HG23 ' A' ' 37' ' ' ILE . 67.0 mttm -72.1 -32.92 67.44 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.724 0.81 . . . . 74.44 112.479 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.0 mm -82.86 -60.56 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 123.101 0.56 . . . . 72.32 111.304 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.2 p -70.83 -43.07 69.3 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.825 0.85 . . . . 73.24 112.432 -173.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.99 20.99 31.7 Favored Glycine 0 CA--C 1.536 1.402 0 CA-C-N 116.298 -0.41 . . . . 61.32 112.997 -171.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -101.4 163.47 12.25 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.16 0.984 . . . . 73.43 110.5 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -88.25 161.99 16.88 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.743 0.417 . . . . 73.4 111.408 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.6 -50.82 71.87 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.589 1.155 . . . . 72.31 112.619 -172.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.65 -32.38 81.26 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 115.611 -0.722 . . . . 74.11 113.846 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -64.99 -39.77 93.96 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.799 0.84 . . . . 70.3 111.056 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.517 HG22 HD22 ' A' ' 21' ' ' LEU . 94.1 mt -67.3 -42.44 87.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.094 0 CA-C-N 114.839 -1.073 . . . . 71.23 110.952 174.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.571 ' HB3' ' HZ1' ' A' ' 51' ' ' LYS . 4.5 mmmp? -61.34 -39.89 92.23 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.49 0.716 . . . . 71.21 112.361 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -65.37 -38.98 91.7 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.846 0.458 . . . . 75.12 111.099 175.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.715 ' HE1' ' HG ' ' A' ' 18' ' ' LEU . 91.3 t90 -54.21 -46.18 72.43 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.918 0.887 . . . . 74.55 112.333 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.536 ' HB3' ' HG3' ' A' ' 29' ' ' GLN . 69.5 m-85 -55.73 -35.12 65.8 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.4 0.68 . . . . 73.0 112.119 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.4 t -70.53 -48.82 53.64 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.683 0.793 . . . . 74.32 111.945 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -65.45 -37.62 87.42 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.109 0.564 . . . . 74.45 111.803 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.1 m -65.82 -36.0 82.27 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.352 1.061 . . . . 75.25 112.632 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 . . . . . 0 CA--C 1.561 1.381 0 CA-C-O 121.185 0.517 . . . . 75.22 111.309 179.01 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.75 -0.463 . . . . 64.13 109.75 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -64.89 -34.28 78.03 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.149 0.58 . . . . 74.42 111.422 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.31 -49.09 77.01 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.468 1.107 . . . . 74.21 111.119 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 97.1 mt-30 -66.15 -48.39 70.93 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.253 -0.885 . . . . 75.53 111.829 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.21 -36.86 78.63 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.991 1.316 . . . . 74.23 110.941 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.78 95.31 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.607 0.763 . . . . 63.42 112.277 177.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -67.05 -36.44 82.07 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.338 0.655 . . . . 54.5 111.776 176.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.54 -37.79 88.78 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 115.843 -0.617 . . . . 74.0 110.79 175.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.477 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 88.2 mttt -64.33 -37.52 87.8 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.947 -0.57 . . . . 74.01 112.022 174.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.8 t -58.98 -44.33 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 CA-C-N 118.177 0.444 . . . . 60.12 110.993 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 t -61.75 -41.51 97.76 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 115.849 -0.614 . . . . 73.54 111.508 174.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -64.3 -34.17 77.51 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 124.121 0.968 . . . . 73.45 111.728 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 95.3 mt -71.11 -31.22 67.51 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.257 1.023 . . . . 75.25 111.704 177.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -69.96 -55.9 8.42 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.438 0.637 . . . . 71.24 110.021 172.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -163.89 138.7 5.97 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.487 1.115 . . . . 74.25 109.157 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -76.72 -6.92 54.18 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 112.715 0.635 . . . . 73.5 112.715 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -126.94 78.68 73.69 Favored Pre-proline 0 CA--C 1.563 1.461 0 C-N-CA 123.868 0.867 . . . . 64.31 110.458 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -76.47 156.27 36.51 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.567 2.178 . . . . 73.43 113.063 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -79.32 153.69 29.63 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.455 0.702 . . . . 74.54 110.603 176.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.97 -29.44 60.22 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 112.846 0.684 . . . . 74.33 112.846 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 p -62.97 -47.91 81.14 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.578 0.751 . . . . 54.35 111.355 173.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.98 -33.58 76.37 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.657 0.783 . . . . 72.43 111.213 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.41 ' O ' ' HG3' ' A' ' 40' ' ' MET . 92.2 mt -67.08 -43.58 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 123.298 0.639 . . . . 75.1 111.003 176.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.6 mt -62.33 -36.88 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 C-N-CA 123.2 0.6 . . . . 73.42 111.33 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -53.98 -55.2 29.34 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.159 0.584 . . . . 73.12 109.95 171.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.98 -36.98 80.85 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.044 0.937 . . . . 74.45 112.099 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 84.4 mtp -58.54 -41.7 86.15 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.037 0.935 . . . . 73.21 111.699 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -78.25 -32.37 49.61 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.084 0.553 . . . . 71.44 112.026 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.8 mm -72.89 -38.89 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 C-N-CA 123.068 0.547 . . . . 75.13 111.487 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.421 ' HB ' ' HG2' ' A' ' 17' ' ' GLN . 72.3 p -96.26 -53.24 3.69 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.706 0.802 . . . . 65.11 111.536 -173.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.27 -4.97 17.83 Favored Glycine 0 N--CA 1.481 1.684 0 CA-C-N 116.207 -0.451 . . . . 72.25 112.604 -171.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.77 164.2 23.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.507 1.123 . . . . 71.4 112.317 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.7 p -95.62 174.44 6.99 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.509 0.723 . . . . 74.41 110.634 173.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -60.16 -35.2 74.81 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.441 0.296 . . . . 71.12 111.384 170.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.72 -50.54 66.41 Favored Glycine 0 C--N 1.351 1.372 0 O-C-N 123.416 0.447 . . . . 75.1 112.635 175.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -55.33 -44.38 75.81 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.917 0.887 . . . . 75.51 112.483 177.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.45 -45.09 47.01 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.292 0 C-N-CA 123.45 0.7 . . . . 74.32 111.799 -175.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -60.31 -44.32 95.55 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 123.651 0.781 . . . . 75.51 112.018 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -67.58 -32.94 74.04 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.012 0.525 . . . . 73.42 111.361 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -63.83 -50.56 68.43 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 122.908 0.13 . . . . 72.02 110.671 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -63.27 -31.99 73.28 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.308 0.643 . . . . 74.34 111.498 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.7 t -59.72 -51.01 71.61 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.367 0.667 . . . . 71.3 111.392 175.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -75.06 -30.37 60.97 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 112.762 0.652 . . . . 72.42 112.762 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.6 m -72.37 -44.4 62.61 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.137 0.575 . . . . 75.42 111.705 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 120.546 0.212 . . . . 74.13 111.122 175.515 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 119.878 -0.106 . . . . 73.34 111.17 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -52.15 -42.37 63.32 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 113.379 0.881 . . . . 73.04 113.379 -175.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.17 -33.05 56.56 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.422 0.689 . . . . 74.03 112.534 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -68.48 -49.11 62.19 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.494 0.664 . . . . 70.12 110.388 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.67 -30.76 71.62 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 124.656 1.183 . . . . 74.24 111.17 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.91 91.83 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.585 0.754 . . . . 74.2 112.209 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.458 ' HB2' HG22 ' A' ' 43' ' ' THR . 73.2 mm-40 -61.71 -36.64 81.52 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.038 0.535 . . . . 73.04 111.576 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.535 HD21 HG21 ' A' ' 50' ' ' ILE . 56.5 mt -68.16 -37.15 80.7 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 115.734 -0.666 . . . . 54.5 111.205 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 14.2 mmtm -65.89 -44.9 83.93 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.66 0.784 . . . . 74.51 111.241 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.31 -40.64 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 C-N-CA 123.309 0.644 . . . . 73.25 110.614 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 t -63.16 -38.49 91.39 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.415 0.686 . . . . 70.31 111.527 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -68.24 -39.72 82.22 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.016 0.926 . . . . 74.43 111.772 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 96.0 mt -63.81 -32.25 73.7 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.908 0.883 . . . . 61.34 111.776 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -81.54 -53.87 5.9 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.323 0.649 . . . . 75.33 111.279 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.67 124.14 16.88 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.784 0.834 . . . . 65.54 111.786 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -82.36 -11.27 58.69 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.025 0.53 . . . . 74.15 111.401 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -124.59 71.21 57.95 Favored Pre-proline 0 CA--C 1.569 1.689 0 C-N-CA 124.362 1.065 . . . . 70.34 110.422 175.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.443 ' HB3' ' HG2' ' A' ' 35' ' ' GLU . 15.2 Cg_exo -73.15 142.28 33.9 Favored 'Trans proline' 0 C--N 1.384 2.434 0 C-N-CA 122.84 2.36 . . . . 72.44 112.819 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -72.38 165.65 24.11 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.74 0.816 . . . . 75.12 111.979 -177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.26 -36.42 77.76 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.25 0.62 . . . . 71.13 112.088 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.7 m -63.61 -38.82 92.58 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.785 0.834 . . . . 73.12 111.961 176.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.443 ' HG2' ' HB3' ' A' ' 31' ' ' PRO . 10.1 tp10 -60.74 -40.07 91.05 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.629 0.772 . . . . 73.33 111.055 174.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.429 HD12 HG22 ' A' ' 50' ' ' ILE . 27.9 mm -67.53 -36.85 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 122.825 0.45 . . . . 72.13 111.546 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.441 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 45.9 mm -55.51 -47.16 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 CA-C-O 121.511 0.672 . . . . 74.53 110.416 174.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -60.36 -49.0 79.34 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.624 -1.171 . . . . 74.42 111.333 174.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.68 -32.78 72.98 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.499 0.719 . . . . 72.03 112.585 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.441 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 69.5 mtm -66.04 -35.33 80.26 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 118.248 0.476 . . . . 73.12 111.33 177.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.69 -32.79 66.04 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.554 0.742 . . . . 75.05 112.267 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.4 mm -84.04 -46.64 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.412 0 CA-C-O 120.96 0.409 . . . . 74.13 111.165 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.458 HG22 ' HB2' ' A' ' 20' ' ' GLU . 51.4 p -79.38 -54.91 5.47 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.43 0.692 . . . . 74.45 111.529 -176.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.43 -4.52 29.68 Favored Glycine 0 N--CA 1.48 1.587 0 CA-C-N 116.215 -0.448 . . . . 65.32 112.72 -171.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.2 mt -83.34 175.02 10.18 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.41 1.084 . . . . 74.24 111.487 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.6 p -98.55 167.04 11.06 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.701 0.63 . . . . 73.31 112.701 -174.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' N ' ' SD ' ' A' ' 40' ' ' MET . 23.9 tptm -54.52 -44.69 72.99 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.428 1.091 . . . . 74.41 111.372 175.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.96 -52.39 42.35 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.188 -0.915 . . . . 74.11 113.201 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.09 -46.82 75.53 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 124.141 0.976 . . . . 74.33 113.135 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.535 HG21 HD21 ' A' ' 21' ' ' LEU . 75.5 mt -70.37 -50.8 43.39 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.284 0 C-N-CA 122.79 0.436 . . . . 73.34 112.0 -174.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -56.28 -38.31 71.02 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 123.153 0.581 . . . . 74.1 111.788 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -65.13 -40.4 94.4 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.225 1.01 . . . . 73.43 110.89 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -61.48 -45.31 94.79 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.952 0.901 . . . . 63.12 112.044 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -61.02 -31.23 70.86 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.541 0.336 . . . . 71.32 111.372 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 m -67.48 -44.61 78.11 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.996 0.519 . . . . 71.04 110.86 172.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -63.8 -37.34 87.01 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.489 0.716 . . . . 65.44 111.905 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 60.2 m -77.35 -36.49 53.67 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.392 0.677 . . . . 64.33 111.432 -176.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 . . . . . 0 N--CA 1.493 1.699 0 C-N-CA 123.211 0.604 . . . . 74.22 111.854 173.224 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 109.029 -0.73 . . . . 74.21 109.029 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -58.95 -29.82 67.42 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.417 0.525 . . . . 71.24 112.417 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.78 -49.48 68.18 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.264 0.626 . . . . 74.55 111.547 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.32 -50.04 74.55 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.33 0.652 . . . . 70.15 111.072 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.82 -35.91 81.46 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.962 1.305 . . . . 75.14 111.041 -176.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -65.39 -45.06 85.51 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.399 0.68 . . . . 72.44 111.785 178.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -62.78 -37.11 85.38 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.802 0.441 . . . . 72.03 111.742 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.472 HD22 HG22 ' A' ' 50' ' ' ILE . 84.3 mt -64.49 -40.02 94.89 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 116.043 -0.526 . . . . 73.44 110.834 174.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -62.17 -41.33 98.21 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.411 0.685 . . . . 74.11 111.808 174.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 19' ' ' ALA . 77.3 t -56.72 -40.88 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 C-N-CA 123.462 0.705 . . . . 73.23 111.627 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.8 t -74.68 -38.7 62.33 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.087 0.555 . . . . 75.51 111.434 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.529 ' HH ' ' HA ' ' A' ' 58' ' ' ARG . 88.7 t80 -63.07 -43.72 97.8 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.018 0.927 . . . . 72.41 112.478 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.04 -25.25 66.96 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.699 0.8 . . . . 70.23 112.363 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -87.38 -38.36 16.25 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.95 0.5 . . . . 74.43 111.078 174.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.52 ' ND2' ' HA ' ' A' ' 31' ' ' PRO . 60.8 t30 -155.99 110.45 2.85 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.615 0.766 . . . . 72.41 109.628 -175.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -71.24 -32.71 69.1 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.778 0.831 . . . . 64.33 111.562 -169.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -120.38 87.01 39.86 Favored Pre-proline 0 CA--C 1.553 1.071 0 N-CA-C 108.253 -1.017 . . . . 75.21 108.253 172.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.52 ' HA ' ' ND2' ' A' ' 28' ' ' ASN . 41.4 Cg_endo -87.23 175.4 4.81 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.808 2.339 . . . . 75.1 114.242 -174.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -77.66 161.46 27.77 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 115.171 -0.922 . . . . 75.31 111.909 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.06 -29.85 69.98 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.013 0.525 . . . . 73.23 110.965 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.3 p -61.3 -45.23 95.32 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.155 0.982 . . . . 74.23 111.704 174.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -57.7 -48.48 79.45 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 121.351 0.596 . . . . 61.32 110.405 173.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.524 HD12 ' HG2' ' A' ' 51' ' ' LYS . 88.6 mt -65.18 -30.4 50.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 CA-C-N 114.429 -1.26 . . . . 73.2 111.932 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.402 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 78.7 mt -67.5 -48.68 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 122.703 0.401 . . . . 74.33 110.38 171.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -53.28 -41.63 65.76 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.558 0.743 . . . . 71.35 110.927 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' A' ' 36' ' ' ILE . 36.7 mt -66.51 -41.26 89.1 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.24 -0.891 . . . . 74.0 110.974 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.519 ' SD ' ' HB2' ' A' ' 47' ' ' LYS . 84.0 mtp -60.17 -35.69 75.91 Favored 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 123.128 0.571 . . . . 74.43 111.699 173.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 37' ' ' ILE . 29.7 mmmt -67.03 -46.75 73.49 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.668 0.787 . . . . 74.32 111.953 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.4 mm -84.2 -48.19 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.09 0.556 . . . . 74.14 112.033 -173.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.5 p -73.62 -35.99 65.41 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.106 0.562 . . . . 74.52 111.894 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.6 18.25 71.23 Favored Glycine 0 CA--C 1.538 1.476 0 CA-C-N 116.384 -0.371 . . . . 70.51 113.243 -173.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.6 mt -89.22 170.6 10.46 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.032 0.933 . . . . 75.51 111.536 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 p -89.79 152.73 21.15 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.534 -0.757 . . . . 65.22 109.993 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.519 ' HB2' ' SD ' ' A' ' 40' ' ' MET . 36.7 ttmt -58.36 -33.57 69.7 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 123.763 0.825 . . . . 73.11 112.486 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.19 -45.54 93.38 Favored Glycine 0 CA--C 1.535 1.317 0 CA-C-N 116.261 -0.427 . . . . 64.42 114.044 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.0 -46.39 90.98 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.497 0.719 . . . . 74.1 111.233 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.472 HG22 HD22 ' A' ' 21' ' ' LEU . 64.1 mt -65.73 -45.04 92.98 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 CA-C-N 115.124 -0.944 . . . . 75.25 112.623 -176.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.524 ' HG2' HD12 ' A' ' 36' ' ' ILE . 93.6 mttt -65.64 -42.14 91.78 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.61 0.596 . . . . 72.34 112.61 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -65.8 -36.22 82.9 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.231 0.212 . . . . 72.3 111.065 175.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -54.53 -47.07 73.59 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.585 0.754 . . . . 71.43 111.674 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -60.49 -40.79 92.6 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 112.525 0.565 . . . . 72.25 112.525 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 99.8 p -72.0 -42.38 66.49 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 112.308 0.484 . . . . 44.34 112.308 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -68.71 -35.81 77.64 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.192 0.597 . . . . 72.42 111.766 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.9 m -66.49 -43.03 86.51 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.669 0.787 . . . . 74.12 110.334 172.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.529 ' HA ' ' HH ' ' A' ' 25' ' ' TYR . 4.5 tmt_? . . . . . 0 CA--C 1.549 0.918 0 C-N-CA 123.59 0.756 . . . . 75.51 111.297 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.2 p . . . . . 0 N--CA 1.485 1.296 0 N-CA-C 109.359 -0.608 . . . . 71.15 109.359 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -65.77 -22.65 66.6 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 112.307 0.484 . . . . 74.21 112.307 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -71.34 -46.27 60.95 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.338 0.655 . . . . 73.32 110.534 171.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.9 -50.64 67.95 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.283 0.633 . . . . 73.52 111.038 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.7 mt -52.97 -47.49 68.11 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.357 1.063 . . . . 71.42 112.244 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.5 -50.52 69.71 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.39 0.676 . . . . 75.43 112.323 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.69 -32.82 68.25 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.466 0.706 . . . . 74.05 112.502 -175.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.403 HD21 HG21 ' A' ' 50' ' ' ILE . 95.2 mt -71.53 -34.42 70.02 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.892 0.477 . . . . 72.33 111.462 175.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.15 -40.14 90.34 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.003 0.521 . . . . 75.21 111.253 175.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.57 -45.26 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.293 0.637 . . . . 74.12 110.837 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.4 t -68.65 -28.33 66.79 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 115.806 -0.633 . . . . 72.22 112.139 176.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -69.48 -37.2 77.16 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.6 0.76 . . . . 74.22 111.004 176.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -69.79 -31.07 68.78 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.531 0.732 . . . . 72.53 111.618 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -79.84 -39.93 29.57 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.337 0.655 . . . . 75.34 111.247 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -160.34 103.43 1.42 Allowed 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.577 1.151 . . . . 71.01 110.923 -172.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -66.49 -28.98 69.0 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.563 0.696 . . . . 75.14 110.764 174.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -114.49 92.39 28.2 Favored Pre-proline 0 CA--C 1.557 1.225 0 C-N-CA 124.806 1.242 . . . . 70.03 108.14 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -77.57 149.49 27.08 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.031 2.487 . . . . 71.34 112.833 -174.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -89.67 -91.52 0.13 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.294 0.638 . . . . 72.11 111.388 -171.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -147.32 -57.22 0.25 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.027 0.931 . . . . 72.24 110.161 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.3 m -58.97 -42.27 89.53 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 124.067 0.947 . . . . 75.52 112.707 -173.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -58.77 -43.83 90.47 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.414 0.686 . . . . 73.24 110.982 173.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.459 HG22 ' HG3' ' A' ' 47' ' ' LYS . 10.5 mt -69.61 -33.3 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 115.316 -0.856 . . . . 74.3 110.989 -175.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.501 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 84.5 mt -60.68 -42.64 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.424 0.69 . . . . 71.44 110.758 173.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -64.97 -39.98 94.3 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 116.119 -0.491 . . . . 73.12 110.726 175.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.78 -37.57 84.83 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.287 0.635 . . . . 73.21 111.59 173.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.501 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 58.5 mtm -64.48 -34.34 77.98 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.897 0.479 . . . . 73.32 111.273 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -70.03 -42.24 73.21 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.471 0.708 . . . . 75.03 111.773 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.8 mm -81.87 -62.11 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 122.873 0.469 . . . . 75.34 111.718 -175.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.2 p -69.31 -38.5 78.28 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.524 0.73 . . . . 64.24 111.96 -176.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.98 -4.58 59.08 Favored Glycine 0 N--CA 1.478 1.45 0 CA-C-N 116.368 -0.378 . . . . 72.43 113.747 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 mt -76.97 176.12 8.91 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.267 1.027 . . . . 74.32 111.688 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.6 p -104.97 156.12 18.33 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 123.442 0.697 . . . . 75.13 110.601 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.459 ' HG3' HG22 ' A' ' 36' ' ' ILE . 36.9 ttpt -54.87 -46.4 74.73 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.949 1.092 . . . . 73.3 113.949 -171.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.48 -35.08 86.27 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 116.799 -0.182 . . . . 71.21 113.482 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -67.73 -41.32 83.64 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.958 0.903 . . . . 74.12 109.902 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.403 HG21 HD21 ' A' ' 21' ' ' LEU . 82.3 mt -63.68 -46.14 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.569 1.147 . . . . 72.33 112.109 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -64.03 -29.55 70.69 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 112.274 0.472 . . . . 72.32 112.274 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.37 -33.89 75.62 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.411 0.284 . . . . 73.15 111.433 172.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -61.98 -47.4 84.98 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.542 0.337 . . . . 74.1 110.978 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -61.58 -32.01 72.08 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.165 0.586 . . . . 75.4 111.525 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -69.53 -44.16 71.54 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.12 0.568 . . . . 71.2 111.156 174.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -68.18 -35.34 77.87 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.272 0.629 . . . . 72.3 111.979 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.0 m -71.85 -40.55 68.93 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.116 0.566 . . . . 75.44 110.632 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 . . . . . 0 CA--C 1.553 1.07 0 C-N-CA 122.691 0.396 . . . . 71.41 111.929 174.642 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 111.312 0.116 . . . . 73.4 111.312 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -57.37 -44.8 84.72 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 112.901 0.704 . . . . 75.01 112.901 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -62.97 -38.0 89.37 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.284 0.634 . . . . 74.03 111.738 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -69.56 -45.89 67.68 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.48 -0.782 . . . . 75.2 111.369 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.33 -32.7 73.5 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.046 0.939 . . . . 73.23 111.978 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.41 78.84 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 123.173 0.589 . . . . 61.04 111.715 177.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.44 -38.23 89.26 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.257 0.623 . . . . 73.04 112.074 175.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.09 -41.24 99.35 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.198 0.599 . . . . 72.42 111.99 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.543 ' HZ2' ' HB2' ' A' ' 22' ' ' LYS . 10.0 mtmp? -67.73 -38.68 83.87 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.998 0.519 . . . . 75.34 111.958 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.8 t -58.23 -44.81 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-O 121.234 0.54 . . . . 74.34 110.587 171.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.9 t -67.61 -29.54 68.9 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.412 -0.813 . . . . 73.05 112.027 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -72.03 -39.82 68.87 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.393 0.677 . . . . 73.54 111.597 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 96.0 mt -62.82 -23.77 67.43 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.414 0.686 . . . . 74.22 112.35 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -93.78 -59.84 1.9 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.845 0.858 . . . . 71.42 110.823 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -126.34 111.12 14.14 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.949 1.299 . . . . 54.03 110.289 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -75.88 -19.03 59.17 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.043 0.537 . . . . 72.4 111.302 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -134.49 92.18 20.76 Favored Pre-proline 0 CA--C 1.569 1.686 0 C-N-CA 124.349 1.06 . . . . 73.3 109.871 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.35 150.93 37.36 Favored 'Trans proline' 0 C--N 1.381 2.262 0 C-N-CA 123.409 2.74 . . . . 75.21 113.219 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -87.02 -75.89 0.38 Allowed 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.619 0.768 . . . . 73.34 112.61 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -150.95 -58.37 0.17 Allowed 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.547 0.573 . . . . 73.42 112.547 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.4 m -61.88 -39.0 90.4 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.756 0.822 . . . . 73.01 111.992 -176.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -68.5 -35.02 76.92 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.454 0.701 . . . . 63.3 111.468 176.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.8 mt -64.13 -48.76 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 C-N-CA 122.931 0.492 . . . . 73.2 110.902 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.49 -35.01 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 123.351 0.661 . . . . 72.33 111.325 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -56.97 -52.76 63.94 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 115.807 -0.633 . . . . 63.04 110.493 172.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.14 -40.88 97.44 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.184 0.594 . . . . 73.1 111.631 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.491 ' HG3' HD12 ' A' ' 50' ' ' ILE . 49.1 mtp -54.47 -45.23 73.13 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 123.884 0.874 . . . . 74.43 112.614 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.445 ' HB2' ' HZ3' ' A' ' 41' ' ' LYS . 9.1 mtmp? -90.06 -13.87 35.02 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 113.186 0.81 . . . . 73.44 113.186 -174.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.8 mm -86.87 -56.68 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 C-N-CA 122.684 0.394 . . . . 73.51 110.253 171.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.5 p -66.17 -49.72 66.42 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.587 0.755 . . . . 64.23 111.533 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.12 24.64 5.91 Favored Glycine 0 N--CA 1.479 1.536 0 CA-C-N 116.338 -0.392 . . . . 72.52 112.825 -173.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.5 mt -101.51 171.95 7.26 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 113.614 0.968 . . . . 72.35 113.614 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.6 p -97.51 170.99 8.66 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 114.531 -1.213 . . . . 71.34 110.157 170.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -60.82 -54.51 44.24 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.411 0.685 . . . . 73.3 111.67 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.03 -33.44 64.13 Favored Glycine 0 CA--C 1.538 1.504 0 N-CA-C 114.505 0.562 . . . . 70.52 114.505 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.13 -51.68 66.92 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.388 0.675 . . . . 73.22 111.694 175.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.491 HD12 ' HG3' ' A' ' 40' ' ' MET . 67.3 mt -67.72 -48.57 75.51 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 C-N-CA 123.529 0.732 . . . . 73.32 111.737 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -51.42 -52.34 46.98 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.479 1.111 . . . . 75.45 112.209 177.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -71.93 -31.21 66.12 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.774 -0.648 . . . . 73.41 111.544 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -60.7 -49.64 76.71 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 111.832 0.308 . . . . 75.0 111.832 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -61.23 -28.63 69.29 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.924 0.49 . . . . 73.02 112.04 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.8 m -68.28 -55.84 10.72 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.144 0.578 . . . . 72.23 111.37 173.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.22 -29.16 68.74 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 112.99 0.737 . . . . 62.42 112.99 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.1 m -78.73 -32.82 46.95 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.172 0.589 . . . . 75.4 110.682 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 121.036 0.446 . . . . 74.44 109.841 171.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.5 p . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.766 0.317 . . . . 73.2 111.648 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -64.39 -24.71 67.73 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.371 0.668 . . . . 72.11 111.616 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.38 -46.75 47.15 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.658 0.783 . . . . 72.33 111.22 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -61.78 -38.62 88.74 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.105 0.562 . . . . 73.34 111.124 174.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.471 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 67.6 mt -64.74 -47.97 76.28 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.495 0.718 . . . . 72.31 111.241 175.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.44 73.71 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.089 0.956 . . . . 73.15 112.833 -174.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -62.44 -42.41 99.43 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.988 0.515 . . . . 64.24 111.746 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.408 HD21 HG22 ' A' ' 50' ' ' ILE . 84.7 mt -66.7 -36.68 83.07 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.653 -0.703 . . . . 73.5 111.377 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 47.9 mtpt -72.48 -44.1 62.76 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.184 0.594 . . . . 72.45 111.977 -177.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.1 t -60.84 -43.38 95.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 122.753 0.421 . . . . 70.24 110.632 176.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.6 t -63.98 -38.51 91.35 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 115.819 -0.628 . . . . 73.53 111.204 174.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -62.85 -33.66 75.73 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.044 0.937 . . . . 75.14 112.099 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 77.6 mt -71.55 -33.25 68.96 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.59 0.356 . . . . 73.32 111.842 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -77.04 -43.39 34.7 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.26 0.553 . . . . 72.21 110.831 173.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.61 102.83 4.0 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.783 1.233 . . . . 63.52 110.201 -175.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.63 -29.4 68.71 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.632 0.73 . . . . 72.43 110.812 178.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -111.82 91.93 16.32 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 125.38 1.472 . . . . 73.5 107.754 171.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -75.53 143.45 27.45 Favored 'Trans proline' 0 C--N 1.366 1.476 0 C-N-CA 122.595 2.197 . . . . 62.54 113.074 -175.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -67.51 153.73 43.03 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.008 0.523 . . . . 71.43 109.923 173.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.431 ' O ' HG13 ' A' ' 37' ' ' ILE . 19.2 t70 -54.21 -40.91 68.08 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.093 0.557 . . . . 52.42 111.926 -177.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.8 t -63.25 -38.56 91.65 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.114 0.966 . . . . 75.33 112.31 176.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.68 -43.3 97.06 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.483 0.713 . . . . 65.34 110.757 175.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.0 mt -62.12 -36.23 73.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.796 0.839 . . . . 74.41 110.832 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.505 ' HA ' ' HE3' ' A' ' 40' ' ' MET . 85.3 mt -63.1 -46.3 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 122.857 0.463 . . . . 74.21 110.724 174.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -55.26 -43.51 74.74 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.018 0.527 . . . . 74.44 111.029 175.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.6 -35.3 77.46 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.46 -0.791 . . . . 74.33 111.576 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.505 ' HE3' ' HA ' ' A' ' 37' ' ' ILE . 65.2 mtm -67.4 -39.87 85.6 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 122.513 0.325 . . . . 74.32 111.038 171.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 37' ' ' ILE . 32.2 mmmt -65.35 -29.2 69.9 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.495 0.718 . . . . 75.44 111.721 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.4 mm -92.37 -64.61 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 C-N-CA 122.9 0.48 . . . . 73.44 111.153 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.8 p -66.14 -33.39 75.67 Favored 'General case' 0 N--CA 1.502 2.146 0 N-CA-C 113.012 0.745 . . . . 74.54 113.012 -172.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.68 -0.35 67.55 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-N 116.378 -0.374 . . . . 60.2 113.684 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.4 mt -74.83 175.96 7.53 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.953 0.901 . . . . 72.45 112.132 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -101.33 159.4 15.3 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 115.802 -0.635 . . . . 74.33 110.854 172.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.482 ' HG2' ' HE2' ' A' ' 51' ' ' LYS . 38.6 ttmt -56.23 -36.04 68.04 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.215 1.006 . . . . 72.44 112.426 -177.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.38 -54.94 32.04 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-N 115.995 -0.548 . . . . 65.04 112.906 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -56.22 -40.18 73.67 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 123.844 0.857 . . . . 75.54 112.444 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.408 HG22 HD21 ' A' ' 21' ' ' LEU . 72.6 mt -65.65 -47.88 84.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-N 115.199 -0.909 . . . . 75.41 111.731 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.482 ' HE2' ' HG2' ' A' ' 47' ' ' LYS . 55.6 mtmt -69.0 -29.83 68.11 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 112.171 0.434 . . . . 74.3 112.171 178.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -64.91 -34.49 78.53 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.234 0.614 . . . . 73.52 110.662 172.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -69.49 -49.93 50.07 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.201 -0.454 . . . . 73.01 110.291 174.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -61.35 -30.97 70.85 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.435 0.694 . . . . 72.11 111.791 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.1 t -61.92 -53.44 55.66 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.368 0.667 . . . . 72.52 110.949 175.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -63.55 -45.06 92.28 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.358 0.663 . . . . 73.24 111.665 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 27.8 m -63.98 -35.6 81.24 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.813 0.845 . . . . 64.35 111.964 -176.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? . . . . . 0 N--CA 1.487 1.418 0 C-N-CA 123.274 0.63 . . . . 74.24 111.197 170.75 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.9 p . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 112.678 0.621 . . . . 73.53 112.678 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -64.82 -31.57 72.86 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.302 0.641 . . . . 73.44 111.548 -172.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 2.1 mp0 -69.14 -50.69 45.52 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.883 0.873 . . . . 73.31 109.409 179.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 76.5 mt-30 -59.31 -54.93 41.22 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.727 1.211 . . . . 72.21 112.525 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 tt -58.66 -37.9 77.0 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 124.075 0.95 . . . . 75.32 110.625 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.41 -49.46 71.44 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.286 0.634 . . . . 70.42 112.135 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 39.3 mm-40 -56.93 -40.23 75.99 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.582 0.753 . . . . 74.14 112.047 179.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 17' ' ' GLN . 85.9 mt -68.81 -40.19 79.66 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.146 -0.934 . . . . 75.13 111.255 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -65.69 -41.92 91.82 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.59 0.356 . . . . 73.34 111.833 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG11 ' HE2' ' A' ' 27' ' ' LYS . 83.2 t -59.7 -44.02 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 123.343 0.657 . . . . 72.43 110.856 177.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 t -65.68 -35.58 81.19 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.431 0.692 . . . . 75.42 111.762 175.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -68.81 -34.97 76.4 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.852 0.861 . . . . 73.13 111.708 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.73 -25.89 59.42 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.421 0.689 . . . . 75.12 111.722 178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HE2' HG11 ' A' ' 23' ' ' VAL . 66.4 mttm -70.65 -55.18 9.34 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.587 0.708 . . . . 71.15 109.831 169.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -151.89 122.13 7.23 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 114.601 -1.181 . . . . 74.51 109.469 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -72.97 -6.2 43.81 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 112.356 0.502 . . . . 74.41 112.356 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -122.55 93.01 48.79 Favored Pre-proline 0 CA--C 1.556 1.208 0 C-N-CA 124.767 1.227 . . . . 65.43 108.809 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -77.44 143.76 22.18 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 122.953 2.435 . . . . 73.41 113.408 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -78.33 147.43 34.22 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.519 -0.764 . . . . 54.43 110.023 173.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.403 ' O ' HG12 ' A' ' 37' ' ' ILE . 18.2 m-20 -63.77 -34.95 79.05 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 122.821 0.448 . . . . 75.4 112.055 -179.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.2 m -69.06 -35.09 76.17 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.157 0.583 . . . . 74.01 111.685 173.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -63.87 -37.13 86.25 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.313 0.578 . . . . 74.21 110.63 173.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.465 HG21 ' HG3' ' A' ' 47' ' ' LYS . 90.7 mt -66.55 -36.08 76.41 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 C-N-CA 123.74 0.816 . . . . 75.44 111.603 175.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.529 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 47.9 mm -54.69 -43.24 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 C-N-CA 123.062 0.545 . . . . 75.32 110.607 174.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -63.34 -45.18 92.43 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 123.905 0.882 . . . . 74.52 111.396 175.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.0 -38.78 89.89 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 123.409 0.684 . . . . 62.03 112.719 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.529 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 67.9 mtm -60.59 -29.97 69.53 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 123.554 0.742 . . . . 73.54 112.527 -177.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -68.3 -38.76 81.93 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.477 0.711 . . . . 74.32 111.873 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.8 mm -88.63 -35.71 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.246 0.619 . . . . 73.35 111.621 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.438 ' HB ' ' HG2' ' A' ' 17' ' ' GLN . 66.5 p -81.1 -51.43 8.47 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.025 0.53 . . . . 74.4 112.022 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.1 24.4 27.15 Favored Glycine 0 N--CA 1.474 1.224 0 CA-C-N 115.909 -0.587 . . . . 72.34 112.379 -170.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.0 mt -98.78 164.15 12.34 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.177 0.991 . . . . 74.12 110.417 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.2 p -85.59 159.07 19.96 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 109.452 -0.573 . . . . 73.32 109.452 168.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HG3' HG21 ' A' ' 36' ' ' ILE . 5.4 ttpm? -59.4 -38.61 80.99 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.917 0.487 . . . . 71.31 110.952 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.43 ' O ' ' HG2' ' A' ' 52' ' ' LYS . . . -57.03 -50.53 63.48 Favored Glycine 0 CA--C 1.542 1.724 0 O-C-N 123.8 0.687 . . . . 74.13 113.738 174.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.8 -43.83 81.31 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.119 0.967 . . . . 64.52 112.503 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.87 -44.72 96.23 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-N 115.633 -0.712 . . . . 74.24 111.291 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -61.56 -34.25 75.26 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 111.834 0.309 . . . . 72.02 111.834 177.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 48' ' ' GLY . 75.0 mmtt -61.4 -51.9 66.81 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.79 0.436 . . . . 75.13 110.559 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -56.22 -48.7 75.93 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.813 0.696 . . . . 72.02 111.493 -176.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -63.46 -35.62 81.05 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.257 0.623 . . . . 75.12 112.315 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.9 m -62.32 -46.92 86.56 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 122.544 0.338 . . . . 74.0 111.141 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.74 -35.59 80.48 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.261 0.624 . . . . 63.12 112.22 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.1 m -71.77 -35.24 70.0 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 123.0 0.52 . . . . 75.54 111.162 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? . . . . . 0 N--CA 1.485 1.297 0 C-N-CA 123.626 0.77 . . . . 75.25 111.266 170.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.426 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 30.1 p . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 112.61 0.596 . . . . 74.51 112.61 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' A' ' 18' ' ' LEU . 65.2 tttp -54.33 -32.57 56.96 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.642 1.177 . . . . 73.53 112.453 177.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -66.02 -42.57 89.47 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.218 1.007 . . . . 71.15 110.719 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -68.87 -41.18 78.73 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.436 0.694 . . . . 74.44 111.036 176.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.53 HD22 ' HE1' ' A' ' 53' ' ' TRP . 82.2 mt -57.95 -38.86 76.77 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.749 0.82 . . . . 74.13 111.497 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.04 -51.25 66.91 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 124.336 1.054 . . . . 64.21 113.474 -175.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -67.35 -34.33 77.1 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.432 0.693 . . . . 73.34 111.343 -177.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.566 HD22 HG22 ' A' ' 50' ' ' ILE . 62.0 mt -70.44 -35.93 73.64 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 114.956 -1.02 . . . . 74.25 111.233 176.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -62.28 -51.18 68.75 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.691 0.796 . . . . 73.44 110.886 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -63.45 -31.52 53.2 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.329 0 CA-C-N 115.676 -0.693 . . . . 62.44 111.214 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.1 t -68.78 -45.46 71.28 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 123.23 0.612 . . . . 62.34 111.154 172.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -62.89 -35.13 79.03 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.314 1.046 . . . . 63.23 111.667 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.6 -18.34 61.98 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.997 0.919 . . . . 74.32 112.901 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -94.89 -54.82 3.32 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.97 0.508 . . . . 73.45 109.742 166.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -155.11 144.37 21.07 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.181 0.808 . . . . 74.41 113.181 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.681 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 29.8 tt0 -71.01 -29.94 66.02 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.355 0.662 . . . . 74.54 110.604 165.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -107.5 88.71 4.35 Favored Pre-proline 0 CA--C 1.558 1.288 0 C-N-CA 124.333 1.053 . . . . 72.22 109.73 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 29' ' ' GLN . 43.4 Cg_endo -91.9 -168.56 0.24 Allowed 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 123.159 2.573 . . . . 71.34 112.698 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.453 ' O ' HG13 ' A' ' 36' ' ' ILE . 83.1 m-70 -87.05 146.34 26.13 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.148 0.579 . . . . 73.12 111.367 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.22 -53.22 60.74 Favored 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 123.761 0.824 . . . . 63.24 112.453 -172.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.2 t -62.56 -32.22 73.16 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 123.536 0.734 . . . . 72.02 112.429 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -66.36 -38.09 86.8 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 123.898 0.879 . . . . 73.21 111.45 176.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 32' ' ' HIS . 49.4 mt -68.9 -36.42 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 C-N-CA 123.135 0.574 . . . . 73.35 110.539 175.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.529 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 84.3 mt -58.47 -41.36 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 123.112 0.565 . . . . 74.03 110.809 174.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' O ' HG12 ' A' ' 42' ' ' ILE . 38.5 ttm180 -68.93 -37.63 79.02 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 116.218 -0.446 . . . . 74.43 111.266 174.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.1 mt -59.67 -34.6 73.05 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.71 0.404 . . . . 73.51 111.336 173.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.529 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 52.6 mtm -63.87 -38.28 90.5 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 122.825 0.45 . . . . 72.45 110.886 173.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -69.88 -34.97 74.27 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.657 0.783 . . . . 73.23 111.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 38' ' ' ARG . 43.7 mm -78.72 -46.22 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 123.136 0.574 . . . . 72.21 111.53 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.6 p -83.47 -47.65 11.15 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.065 0.546 . . . . 73.3 112.054 -174.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.11 7.73 43.09 Favored Glycine 0 N--CA 1.48 1.618 0 C-N-CA 123.054 0.359 . . . . 53.51 112.749 -172.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.4 mt -88.46 174.87 7.86 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.308 1.043 . . . . 74.0 111.185 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.476 ' OG1' ' HG2' ' A' ' 49' ' ' GLU . 11.8 p -96.18 170.45 9.25 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 120.887 0.375 . . . . 73.34 110.821 175.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -56.62 -41.18 76.65 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.224 1.01 . . . . 75.23 111.183 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.93 -36.83 51.49 Favored Glycine 0 CA--C 1.537 1.445 0 CA-C-N 114.784 -1.098 . . . . 64.24 114.204 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 34.5 mm-40 -63.42 -35.61 80.99 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 118.107 0.954 . . . . 74.24 112.508 -178.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.566 HG22 HD22 ' A' ' 21' ' ' LEU . 89.9 mt -68.43 -40.75 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 CA-C-N 115.506 -0.77 . . . . 74.54 111.136 178.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -70.42 -34.94 73.07 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.043 0.537 . . . . 75.4 112.07 175.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -60.19 -40.55 90.43 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.92 0.488 . . . . 74.42 110.265 171.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.53 ' HE1' HD22 ' A' ' 18' ' ' LEU . 86.1 t90 -62.75 -48.93 77.06 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 123.902 0.751 . . . . 74.44 110.717 176.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.681 ' HB3' ' HG3' ' A' ' 29' ' ' GLN . 19.4 m-85 -56.28 -49.52 74.0 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.127 0.571 . . . . 75.33 111.956 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -63.65 -43.2 97.47 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.561 0.744 . . . . 73.22 111.906 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.3 -37.87 78.0 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.938 0.895 . . . . 54.1 111.707 -177.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.6 m -68.03 -33.49 74.69 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.799 0.84 . . . . 62.05 111.185 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.431 ' HB2' HE22 ' A' ' 29' ' ' GLN . 25.6 ttt180 . . . . . 0 CA--C 1.552 1.056 0 C-N-CA 122.573 0.349 . . . . 74.43 110.864 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 111.464 0.172 . . . . 72.15 111.464 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -64.72 -21.59 66.79 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 112.354 0.502 . . . . 74.43 112.354 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.87 -49.97 72.76 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.734 0.814 . . . . 75.43 110.43 172.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -70.48 -47.33 61.11 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.611 -1.177 . . . . 74.25 110.788 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 tt -55.52 -37.9 68.53 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 125.426 1.49 . . . . 71.32 110.875 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.87 72.41 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.585 0.754 . . . . 71.43 111.73 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -61.74 -40.02 93.64 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.165 0.586 . . . . 75.54 111.674 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.9 mt -67.46 -36.44 81.15 Favored 'General case' 0 CA--C 1.555 1.169 0 CA-C-N 115.26 -0.882 . . . . 63.11 111.258 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -68.11 -43.5 78.29 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 123.559 0.744 . . . . 64.11 111.673 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.1 t -58.47 -40.99 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.166 0.587 . . . . 72.33 110.846 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.8 t -72.58 -32.66 66.18 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.175 0.59 . . . . 73.55 111.992 176.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -69.38 -40.67 77.27 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 123.928 0.891 . . . . 75.22 111.994 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.0 -23.74 64.13 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.697 0.799 . . . . 75.34 111.684 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -79.41 -49.73 11.89 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.388 0.675 . . . . 73.13 110.473 171.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -159.97 118.1 2.67 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.24 1.016 . . . . 63.12 109.945 -171.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -70.31 -29.74 66.55 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.797 0.839 . . . . 74.25 111.911 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -116.28 82.54 11.83 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 124.319 1.047 . . . . 75.34 109.314 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -72.55 141.38 34.54 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 122.535 2.157 . . . . 74.13 112.574 -175.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -66.81 154.16 41.57 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.64 -0.709 . . . . 71.5 110.258 172.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.539 ' O ' HG12 ' A' ' 37' ' ' ILE . 7.6 m-20 -55.32 -33.69 63.54 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.06 0.763 . . . . 73.41 113.06 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.8 m -56.92 -45.98 82.32 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.679 0.791 . . . . 74.44 111.855 175.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -66.07 -37.6 86.21 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.329 0.652 . . . . 71.32 111.061 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.419 ' O ' ' HG3' ' A' ' 40' ' ' MET . 79.1 mt -68.82 -35.25 68.67 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 C-N-CA 123.182 0.593 . . . . 72.23 112.092 -178.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 33' ' ' ASP . 42.5 mm -61.36 -44.76 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 CA-C-O 121.558 0.694 . . . . 74.31 109.572 173.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -59.9 -40.72 89.72 Favored 'General case' 0 CA--C 1.559 1.316 0 CA-C-N 114.334 -1.303 . . . . 75.44 111.676 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.7 -37.7 82.65 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.334 0.654 . . . . 73.21 111.424 176.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.446 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 56.7 mtm -62.72 -32.37 73.48 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 122.926 0.49 . . . . 60.34 111.546 177.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -63.44 -35.7 81.28 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.626 0.77 . . . . 64.12 112.349 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.51 -50.59 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 123.027 0.531 . . . . 75.3 111.643 -173.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.8 p -70.81 -38.77 73.32 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.64 0.776 . . . . 72.21 111.986 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.23 -3.37 86.75 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-N 116.65 -0.25 . . . . 74.32 112.937 -173.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . 94.3 mt -74.97 166.98 22.8 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.001 0.921 . . . . 70.52 111.143 176.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.4 p -90.18 166.24 13.49 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.615 0.366 . . . . 74.42 110.128 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -54.97 -35.98 64.87 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 123.556 0.743 . . . . 75.24 111.912 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.01 -44.24 89.06 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 115.376 -0.829 . . . . 74.53 113.36 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 30.3 mm-40 -64.79 -36.82 85.55 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.183 0.593 . . . . 73.21 111.294 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.6 mt -70.94 -55.62 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 115.311 -0.859 . . . . 74.53 111.509 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -58.52 -34.44 70.97 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 118.288 0.494 . . . . 74.41 111.857 176.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.9 -45.82 92.07 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.448 0.468 . . . . 71.44 110.873 175.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -59.96 -48.63 80.92 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.527 0.331 . . . . 71.44 111.282 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -62.59 -38.14 88.97 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 122.998 0.519 . . . . 73.02 112.197 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.8 p -71.18 -38.72 72.12 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.662 0.385 . . . . 74.12 111.588 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.91 -28.12 68.05 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.046 0.538 . . . . 72.24 111.995 173.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.6 m -84.41 -27.74 27.4 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.986 0.514 . . . . 74.44 110.719 176.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.219 0.533 . . . . 72.04 109.999 166.896 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 19.6 p . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 111.417 0.155 . . . . 72.44 111.417 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -73.54 -24.11 60.08 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.897 0.479 . . . . 65.35 111.466 174.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.61 -43.95 75.33 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.615 0.721 . . . . 74.42 110.296 174.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -69.57 -45.33 68.94 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 114.966 -1.015 . . . . 75.32 110.799 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.481 HD23 ' HE2' ' A' ' 22' ' ' LYS . 1.3 tt -62.06 -33.9 75.26 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.946 1.298 . . . . 74.15 110.982 -178.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.67 -50.6 73.24 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.691 0.796 . . . . 50.52 111.923 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -65.47 -38.15 88.95 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 116.041 -0.527 . . . . 75.21 111.586 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.476 HD23 HD13 ' A' ' 39' ' ' LEU . 92.8 mt -64.01 -38.73 92.16 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-N 115.672 -0.694 . . . . 73.1 111.631 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HE2' HD23 ' A' ' 18' ' ' LEU . 63.0 mttm -61.69 -47.73 83.98 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.355 0.662 . . . . 74.42 111.192 174.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -56.63 -45.31 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.369 0.668 . . . . 72.13 110.905 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.553 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 25.9 t -68.85 -31.22 70.02 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.608 0.763 . . . . 75.34 112.05 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -67.65 -31.86 72.15 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.063 0.945 . . . . 74.3 111.004 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 79.4 mt -65.81 -34.98 79.41 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.377 0.671 . . . . 74.44 111.601 174.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.553 ' HD3' ' HA ' ' A' ' 24' ' ' SER . 0.6 OUTLIER -65.97 -58.88 4.53 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 109.376 -0.602 . . . . 75.01 109.376 170.03 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -174.56 142.19 0.72 Allowed 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 114.826 -1.079 . . . . 63.01 110.967 -175.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -73.54 -26.92 61.07 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 121.391 0.615 . . . . 70.14 111.655 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -114.69 79.91 6.01 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 123.045 0.538 . . . . 72.44 109.646 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HB2' HG13 ' A' ' 36' ' ' ILE . 16.8 Cg_exo -69.39 162.29 42.47 Favored 'Trans proline' 0 C--N 1.385 2.48 0 C-N-CA 122.873 2.382 . . . . 74.32 114.047 -176.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -73.74 -77.34 0.11 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.506 0.723 . . . . 64.3 111.453 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -158.25 -58.16 0.07 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.898 0.479 . . . . 73.32 111.39 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 t -61.9 -30.07 70.63 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.584 0.754 . . . . 65.03 112.178 -177.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.58 -44.72 93.23 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.864 0.866 . . . . 71.35 110.956 174.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.572 HG21 ' HG3' ' A' ' 47' ' ' LYS . 63.7 mt -67.1 -47.39 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 C-N-CA 123.332 0.653 . . . . 70.13 111.073 177.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.9 mt -65.33 -31.89 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.854 0.861 . . . . 75.51 111.324 -177.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -57.71 -46.94 83.71 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.674 0.79 . . . . 75.53 110.464 171.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.476 HD13 HD23 ' A' ' 21' ' ' LEU . 45.3 mt -65.51 -41.26 93.37 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.503 -0.771 . . . . 74.43 111.203 176.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.2 mtp -57.96 -32.98 68.36 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 123.495 0.718 . . . . 70.23 111.927 178.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.22 -30.62 38.62 Favored 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 113.11 0.782 . . . . 70.4 113.11 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.4 mm -97.34 -57.69 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 122.105 -0.372 . . . . 75.24 111.942 -176.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 p -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.268 0.627 . . . . 73.3 111.668 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.17 0.07 80.92 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-N 116.127 -0.488 . . . . 72.24 113.298 -175.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.8 mt -75.86 154.55 36.02 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.616 0.766 . . . . 64.53 111.102 173.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.3 p -79.4 162.1 25.74 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.954 -0.566 . . . . 74.2 110.426 175.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.572 ' HG3' HG21 ' A' ' 36' ' ' ILE . 40.7 ttmt -56.3 -34.91 66.94 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.279 0.632 . . . . 72.23 111.847 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.06 -43.35 95.88 Favored Glycine 0 CA--C 1.537 1.447 0 CA-C-N 116.001 -0.545 . . . . 23.21 113.757 176.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -62.08 -45.69 92.38 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.77 0.828 . . . . 65.34 112.127 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.418 HD11 ' HB2' ' A' ' 39' ' ' LEU . 95.9 mt -62.51 -52.83 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.168 0 C-N-CA 123.962 0.905 . . . . 75.14 111.913 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -56.75 -38.26 72.16 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.516 0.726 . . . . 73.31 112.252 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.54 -48.36 77.83 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.996 -0.547 . . . . 72.52 111.076 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -56.62 -48.47 77.42 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.926 0.766 . . . . 74.31 111.163 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -55.56 -44.96 77.31 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 124.081 0.863 . . . . 72.42 112.114 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.3 t -64.28 -37.75 88.58 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.865 0.466 . . . . 74.11 111.684 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -75.83 -26.51 57.27 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.984 0.735 . . . . 74.33 112.984 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 m -56.14 -42.87 77.61 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.248 0.833 . . . . 73.23 113.248 -171.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 112.478 0.547 . . . . 72.41 112.478 -179.145 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.8 p . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.843 -0.429 . . . . 75.41 109.843 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -68.9 -21.96 64.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 122.083 -0.385 . . . . 74.4 111.08 174.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.27 -39.35 86.06 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.09 0.556 . . . . 73.12 110.948 173.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -76.57 -52.94 8.76 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.667 0.746 . . . . 75.14 111.672 176.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.99 -39.36 83.26 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 124.612 1.165 . . . . 75.21 112.179 -169.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.34 -32.66 74.14 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 112.726 0.639 . . . . 63.45 112.726 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -67.32 -38.58 85.15 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.865 0.466 . . . . 73.23 111.514 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.57 -35.95 75.84 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 115.989 -0.55 . . . . 74.3 111.046 173.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.489 ' HA ' ' HH2' ' A' ' 53' ' ' TRP . 7.1 tmtt? -67.73 -52.69 34.59 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.417 1.087 . . . . 73.42 110.849 -173.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.609 HG11 ' HE2' ' A' ' 27' ' ' LYS . 62.3 t -67.54 -35.55 73.52 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 123.593 0.757 . . . . 75.15 110.942 178.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.9 t -63.55 -34.66 78.29 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 122.978 0.511 . . . . 74.22 111.602 174.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.411 ' OH ' ' HA ' ' A' ' 58' ' ' ARG . 64.9 t80 -68.49 -42.64 78.34 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.345 0.658 . . . . 63.33 111.374 175.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.44 -27.66 67.68 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.459 0.704 . . . . 73.13 111.734 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.609 ' HE2' HG11 ' A' ' 23' ' ' VAL . 64.4 mttm -85.5 -39.95 16.89 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.656 0.782 . . . . 64.55 111.55 174.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -159.13 129.21 5.73 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.528 0.731 . . . . 72.44 111.248 -174.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.29 -28.35 31.8 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.905 0.882 . . . . 74.31 111.704 -175.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -131.5 86.74 48.71 Favored Pre-proline 0 N--CA 1.486 1.361 0 C-N-CA 123.469 0.708 . . . . 64.32 110.679 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -77.91 162.51 29.33 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.812 2.341 . . . . 72.44 112.782 175.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -69.92 147.58 50.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.264 0.626 . . . . 74.11 110.893 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -60.24 -35.98 76.69 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.24 0.616 . . . . 63.24 112.64 -177.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m -73.93 -34.14 64.21 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.153 0.581 . . . . 62.31 111.446 176.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.55 -31.96 72.4 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.037 0.935 . . . . 73.23 111.151 173.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -66.92 -33.18 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.793 0.837 . . . . 75.42 111.402 174.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.413 ' HA ' ' SD ' ' A' ' 40' ' ' MET . 65.9 mt -59.49 -35.66 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 122.839 0.456 . . . . 75.23 111.25 176.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -61.43 -48.63 80.32 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.19 0.596 . . . . 74.31 110.895 171.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.59 -29.82 70.28 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.251 0.62 . . . . 74.14 112.277 175.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 37' ' ' ILE . 76.7 mtp -70.51 -36.76 73.94 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.878 0.871 . . . . 73.1 110.961 176.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -78.41 -10.7 59.8 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.413 0.685 . . . . 72.35 112.225 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.1 mm -91.73 -49.3 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.294 0.638 . . . . 74.22 110.53 170.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.8 p -76.73 -58.63 3.17 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.486 0.714 . . . . 65.32 111.73 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.55 1.87 32.79 Favored Glycine 0 N--CA 1.476 1.322 0 CA-C-N 116.061 -0.518 . . . . 71.14 112.313 -169.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 74.5 mt -88.03 178.22 6.72 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.434 1.094 . . . . 73.24 111.124 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.5 p -93.02 169.07 10.7 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.938 0.495 . . . . 72.2 111.08 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -66.93 -33.23 75.12 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.279 0.632 . . . . 74.41 110.666 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.04 -37.29 87.34 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-N 115.562 -0.745 . . . . 75.3 113.196 175.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -57.18 -49.47 75.88 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.853 0.861 . . . . 72.31 111.235 173.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.3 mt -73.87 -46.05 47.72 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.449 0 C-N-CA 123.603 0.761 . . . . 74.32 112.638 -174.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -54.28 -45.58 72.5 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 123.17 0.588 . . . . 75.01 111.433 173.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -65.54 -43.55 89.63 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.994 0.918 . . . . 74.41 111.514 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.489 ' HH2' ' HA ' ' A' ' 22' ' ' LYS . 78.5 t90 -60.65 -49.99 75.29 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.462 0.705 . . . . 75.55 111.88 -174.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -59.79 -34.98 73.75 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.551 0.741 . . . . 74.32 112.023 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.8 m -71.65 -42.8 67.11 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.119 0.568 . . . . 73.04 112.164 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -72.66 -30.94 64.7 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 112.493 0.553 . . . . 75.44 112.493 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.8 m -72.33 -37.09 68.98 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.672 0.789 . . . . 73.14 110.174 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.411 ' HA ' ' OH ' ' A' ' 25' ' ' TYR . 50.2 ttt85 . . . . . 0 CA--C 1.553 1.076 0 C-N-CA 124.376 1.07 . . . . 75.43 111.328 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.531 0.205 . . . . 61.44 111.498 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -130.79 -46.19 1.05 Allowed 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.81 0.844 . . . . 74.43 110.334 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.1 mmt -97.06 103.83 16.69 Favored Pre-proline 0 CA--C 1.561 1.381 0 C-N-CA 123.786 0.834 . . . . 72.4 109.833 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -83.59 6.54 5.73 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.481 2.121 . . . . 74.41 114.472 -174.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -139.16 140.73 37.94 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.462 0.649 . . . . 74.01 112.28 -175.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -150.74 12.13 0.69 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.077 1.351 . . . . 73.22 109.806 168.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -105.92 98.55 8.22 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.114 0.965 . . . . 75.32 111.083 -168.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.32 91.37 1.53 Allowed Glycine 0 CA--C 1.535 1.341 0 CA-C-N 115.876 -0.602 . . . . 74.34 113.181 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.8 mt -61.94 104.83 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 123.723 0.809 . . . . 74.51 110.759 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 59.34 19.29 7.51 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.207 1.003 . . . . 74.41 113.125 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.73 132.26 36.89 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.215 0.606 . . . . 52.23 111.27 -176.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.99 132.26 35.37 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.893 0.877 . . . . 74.12 110.249 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -66.57 112.8 4.32 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 122.595 0.358 . . . . 74.14 110.17 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.5 p -60.45 161.71 7.12 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 122.963 0.505 . . . . 74.02 111.111 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.9 -36.26 67.47 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.985 0.514 . . . . 71.41 111.496 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.71 -49.81 64.84 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.936 0.494 . . . . 74.25 111.901 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -62.89 -41.5 99.44 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.674 0.749 . . . . 71.34 111.368 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 tt -70.07 -33.67 72.2 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 125.335 1.454 . . . . 63.41 110.808 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.82 -33.2 70.44 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.257 0.623 . . . . 72.12 112.487 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -65.28 -37.61 87.69 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.198 0.523 . . . . 72.24 110.702 173.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.38 -38.03 89.55 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 115.518 -0.765 . . . . 75.33 110.887 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 94.3 mttt -60.66 -43.54 97.52 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 122.73 0.412 . . . . 73.22 111.828 174.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.94 -41.51 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 123.142 0.577 . . . . 74.11 111.215 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.453 ' HB3' ' HZ ' ' A' ' 54' ' ' PHE . 38.7 t -66.79 -35.66 80.59 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.522 -0.763 . . . . 74.15 112.094 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.512 ' HH ' ' HA ' ' A' ' 58' ' ' ARG . 53.8 t80 -72.07 -38.05 69.52 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 122.737 0.415 . . . . 74.12 111.358 178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 87.3 mt -67.06 -38.09 85.18 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.616 0.766 . . . . 72.25 112.027 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HG3' ' ND2' ' A' ' 28' ' ' ASN . 19.8 ptpt -76.11 -39.53 54.98 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.367 0.267 . . . . 75.22 111.377 177.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.456 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 5.3 p30 -159.56 124.98 4.16 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.538 0.735 . . . . 75.13 110.967 174.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -73.15 -14.18 61.32 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.775 0.83 . . . . 64.11 112.537 -173.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -120.66 89.85 45.36 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 124.446 1.099 . . . . 75.52 108.574 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.456 ' HA ' ' OD1' ' A' ' 28' ' ' ASN . 21.3 Cg_exo -65.05 137.04 50.79 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.241 2.627 . . . . 73.34 114.339 -171.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -73.31 149.4 42.7 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.214 0.606 . . . . 75.4 109.95 171.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.38 -40.83 78.99 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.509 0.723 . . . . 63.5 112.629 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.0 m -63.37 -36.9 85.23 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.368 0.667 . . . . 51.44 112.172 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -67.89 -38.66 83.29 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.231 0.612 . . . . 70.31 110.855 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.495 HG21 ' HG3' ' A' ' 47' ' ' LYS . 93.3 mt -64.11 -41.7 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.794 0.837 . . . . 75.11 111.661 176.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.45 -40.13 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 122.625 0.37 . . . . 74.34 110.539 174.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -61.14 -38.31 85.94 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.221 0.608 . . . . 72.25 111.794 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.93 -43.85 94.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.939 0.496 . . . . 71.1 110.658 173.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 82.6 mtp -58.04 -33.61 69.18 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 123.835 0.854 . . . . 74.51 111.893 175.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -69.65 -52.63 24.11 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.499 0.72 . . . . 75.24 112.16 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.6 mm -70.07 -49.42 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.24 0.616 . . . . 74.21 111.776 -174.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.1 p -81.78 -38.19 26.0 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.521 0.728 . . . . 70.14 112.317 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.77 13.58 56.48 Favored Glycine 0 CA--C 1.537 1.413 0 CA-C-N 116.224 -0.444 . . . . 44.34 113.164 -172.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.3 mt -84.9 177.33 8.0 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.737 0.815 . . . . 63.32 112.768 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.9 p -101.54 153.06 20.06 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 114.949 -1.023 . . . . 74.13 110.008 173.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.495 ' HG3' HG21 ' A' ' 36' ' ' ILE . 37.2 ttmt -60.18 -24.77 65.04 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 123.653 0.781 . . . . 74.21 112.001 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.88 -47.61 53.9 Favored Glycine 0 C--N 1.353 1.487 0 CA-C-N 116.34 -0.391 . . . . 54.45 114.009 174.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -61.84 -35.46 78.33 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 123.148 0.579 . . . . 62.41 111.924 176.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.478 HG22 HG22 ' A' ' 36' ' ' ILE . 79.9 mt -68.97 -53.47 25.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 CA-C-N 115.217 -0.902 . . . . 74.13 111.221 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -57.45 -37.16 72.39 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.299 0.639 . . . . 73.1 112.095 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.25 -52.61 64.94 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.791 0.682 . . . . 75.44 110.707 173.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -59.56 -46.92 87.49 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.794 0.838 . . . . 73.23 112.685 -174.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.453 ' HZ ' ' HB3' ' A' ' 24' ' ' SER . 67.9 m-85 -64.74 -29.2 70.17 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 112.818 0.673 . . . . 73.14 112.818 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.5 m -68.63 -38.07 80.24 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 120.809 0.338 . . . . 73.35 110.674 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -67.04 -41.81 85.9 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.179 0.591 . . . . 63.41 111.132 174.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 60' ' ' ASN . 19.5 m -73.34 -27.77 61.69 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.026 0.93 . . . . 74.0 111.822 -176.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.512 ' HA ' ' HH ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -66.34 -36.83 83.89 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 122.633 0.373 . . . . 74.12 110.585 175.633 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -77.88 -35.98 50.26 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 122.398 0.279 . . . . 74.11 111.438 171.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.467 ' HB3' ' HA ' ' A' ' 57' ' ' THR . 8.2 t30 -61.9 -27.24 68.67 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.468 0.707 . . . . 72.34 110.95 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -29.54 70.71 Favored 'General case' 0 CA--C 1.564 1.482 0 C-N-CA 124.829 1.252 . . . . 73.53 111.402 174.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.496 ' HB3' ' SG ' ' A' ' 69' ' ' CYS . 16.0 ptt180 -122.06 42.04 3.23 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 124.523 1.129 . . . . 73.51 111.193 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -61.42 -49.5 76.6 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.332 1.234 . . . . 74.25 114.332 -170.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.6 m -77.16 -49.54 14.96 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 123.011 0.524 . . . . 74.01 111.886 -174.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -67.29 -28.76 68.28 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.07 0.548 . . . . 74.22 111.643 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.9 m 72.89 -60.53 0.53 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 126.006 1.722 . . . . 74.3 113.35 172.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -84.31 -70.56 0.56 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.625 0.77 . . . . 72.11 111.723 -176.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -105.5 177.5 4.83 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 122.98 0.512 . . . . 65.13 111.946 -175.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 62' ' ' ARG . 70.8 m -127.58 159.65 33.99 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.835 0.854 . . . . 75.13 111.392 -178.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.2 pp -76.92 152.26 35.4 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 115.935 -0.575 . . . . 72.43 110.567 171.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.7 t60 57.92 38.68 27.01 Favored 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 123.924 0.89 . . . . 74.54 110.906 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.9 tp -65.58 127.7 32.95 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.987 0.915 . . . . 72.23 110.825 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -72.82 125.77 28.34 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.165 0.586 . . . . 71.33 111.772 -176.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 t30 . . . . . 0 CA--C 1.564 1.508 0 C-N-CA 123.911 0.884 . . . . 74.25 109.969 -179.85 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 120.7 0.286 . . . . 73.21 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -118.95 102.57 8.87 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 107.978 -1.119 . . . . 74.14 107.978 171.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.2 mtt 64.68 103.4 0.03 OUTLIER Pre-proline 0 N--CA 1.496 1.845 0 C-N-CA 125.149 1.38 . . . . 75.35 111.432 -174.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -69.14 125.16 12.12 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 122.605 2.203 . . . . 64.24 113.069 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.34 87.23 0.18 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.704 0.802 . . . . 42.21 110.63 175.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 m -92.03 68.31 5.24 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.858 -0.61 . . . . 72.1 109.883 -176.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -121.78 126.6 49.22 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.269 0.628 . . . . 75.11 111.2 -173.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.02 171.52 42.79 Favored Glycine 0 C--N 1.349 1.26 0 N-CA-C 114.292 0.477 . . . . 74.5 114.292 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -74.16 100.47 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 N-CA-C 108.029 -1.1 . . . . 75.13 108.029 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -120.94 -6.19 9.56 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 113.401 0.889 . . . . 75.42 113.401 -171.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.16 -159.57 0.27 Allowed 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.748 0.819 . . . . 73.33 111.698 -173.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -149.52 148.1 28.98 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.009 0.524 . . . . 74.34 110.708 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -69.45 99.41 1.23 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.145 0.978 . . . . 74.35 110.726 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 p -70.65 174.06 6.38 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.462 0.705 . . . . 71.44 111.163 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -65.28 -35.67 81.74 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.145 0.429 . . . . 65.32 111.899 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -72.23 -37.68 69.11 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.642 0.777 . . . . 74.2 111.532 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -70.39 -42.96 71.02 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.28 0.632 . . . . 72.53 111.023 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.8 -34.88 79.4 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.908 1.283 . . . . 74.42 110.569 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.11 90.43 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.668 0.787 . . . . 70.24 112.397 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -67.05 -40.69 87.17 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.003 0.521 . . . . 73.44 111.485 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.431 HD21 HG22 ' A' ' 50' ' ' ILE . 63.7 mt -66.69 -33.03 74.75 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.146 -0.934 . . . . 73.12 111.012 176.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 5.5 tmtt? -67.7 -49.9 60.33 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.213 1.005 . . . . 74.52 109.929 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.64 -38.93 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.699 0.8 . . . . 71.14 111.289 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.5 t -69.66 -26.26 64.3 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 115.751 -0.659 . . . . 73.53 111.737 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.453 ' HB2' ' HZ3' ' A' ' 53' ' ' TRP . 66.4 t80 -76.87 -34.43 57.8 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.551 0.74 . . . . 72.34 110.994 174.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 95.2 mt -65.29 -42.71 92.86 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.655 0.782 . . . . 72.41 111.496 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -70.28 -35.79 73.96 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 122.296 0.239 . . . . 75.33 111.327 176.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -167.43 128.24 1.49 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.565 0.746 . . . . 73.42 110.804 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -68.77 -25.66 64.83 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.114 0.566 . . . . 74.44 112.204 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -124.23 73.31 58.14 Favored Pre-proline 0 CA--C 1.559 1.294 0 C-N-CA 123.716 0.807 . . . . 74.54 109.873 177.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -72.97 151.97 51.06 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.225 1.95 . . . . 74.34 111.96 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -65.32 153.4 41.26 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.673 0.389 . . . . 74.24 111.034 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -66.08 -17.69 64.86 Favored 'General case' 0 CA--C 1.564 1.511 0 N-CA-C 112.653 0.612 . . . . 75.1 112.653 -173.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.1 m -67.31 -35.29 79.14 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.516 0.727 . . . . 73.32 111.631 172.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.64 -42.91 90.92 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.046 0.538 . . . . 73.12 110.031 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -58.65 -37.84 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 124.251 1.021 . . . . 75.35 112.184 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.475 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 36.7 mm -54.65 -50.34 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 C-N-CA 123.319 0.648 . . . . 65.52 111.126 173.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -66.24 -40.72 90.41 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.425 -0.807 . . . . 72.12 111.273 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.57 -37.55 86.64 Favored 'General case' 0 C--O 1.21 -1.017 0 C-N-CA 123.467 0.707 . . . . 72.22 111.353 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.475 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 68.4 mtm -61.85 -32.89 73.26 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 118.657 0.662 . . . . 70.03 111.872 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -73.49 -41.74 62.74 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.061 0.545 . . . . 75.22 111.595 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.8 mm -78.14 -45.14 27.3 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 C-N-CA 122.994 0.518 . . . . 75.45 111.563 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.9 p -77.44 -52.44 9.1 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.597 0.759 . . . . 64.54 111.452 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.42 -3.99 37.42 Favored Glycine 0 CA--C 1.538 1.496 0 CA-C-N 116.142 -0.481 . . . . 71.32 113.091 -171.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -75.5 173.96 10.29 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.848 0.859 . . . . 74.22 111.737 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.9 p -102.36 175.78 5.4 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.41 0.684 . . . . 75.45 112.235 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -55.49 -52.08 64.84 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 125.143 1.377 . . . . 74.44 112.356 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.46 -35.53 55.9 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-N 115.336 -0.847 . . . . 71.51 114.039 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -53.77 -53.03 57.94 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.65 0.78 . . . . 71.42 111.993 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.431 HG22 HD21 ' A' ' 21' ' ' LEU . 48.8 mt -64.53 -42.0 93.92 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 CA-C-N 115.625 -0.716 . . . . 74.42 111.956 -177.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -59.63 -42.03 91.81 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 111.763 0.282 . . . . 73.3 111.763 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -63.52 -31.91 73.21 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.443 0.697 . . . . 73.13 112.221 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.453 ' HZ3' ' HB2' ' A' ' 25' ' ' TYR . 77.3 t90 -68.6 -50.95 47.61 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 117.9 0.318 . . . . 73.43 110.704 177.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.436 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 74.4 m-85 -66.45 -36.18 82.14 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 122.654 0.382 . . . . 74.42 111.825 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 t -67.07 -49.89 63.61 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.087 0.555 . . . . 75.25 111.489 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -75.89 -45.97 32.58 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.113 -0.494 . . . . 74.32 112.082 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 91.7 m -59.08 -35.15 72.88 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.67 0.788 . . . . 74.23 111.548 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 2.6 tmm_? -54.97 -41.69 71.48 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 123.717 0.807 . . . . 72.2 110.742 174.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -76.68 -34.54 58.2 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-N 115.832 -0.622 . . . . 73.51 111.454 175.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -67.91 -24.19 65.18 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 123.035 0.534 . . . . 73.44 112.403 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 57' ' ' THR . 16.0 mm100 -70.71 -22.5 62.44 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.847 0.459 . . . . 73.11 111.436 173.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.8 -38.27 73.33 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.07 0.548 . . . . 75.42 110.917 171.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -87.06 128.61 35.1 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 109.7 -0.481 . . . . 74.42 109.7 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 82.6 p -65.62 -23.32 66.79 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.635 0.774 . . . . 72.31 112.603 -177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -83.55 60.2 5.54 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.574 0.749 . . . . 74.11 111.98 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.3 m -83.9 93.27 7.99 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 121.204 0.526 . . . . 52.53 109.746 173.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -77.42 -13.13 59.99 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.489 0.716 . . . . 74.22 111.855 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -72.25 100.2 2.55 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 123.9 0.88 . . . . 74.4 111.582 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.4 t 66.63 -175.73 0.19 Allowed 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.108 1.363 . . . . 64.52 113.096 174.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.9 tm? 75.39 -70.41 0.15 Allowed 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 125.672 1.589 . . . . 71.14 111.723 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -65.89 117.79 8.77 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.467 0.707 . . . . 74.14 111.732 -174.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 pp -140.77 -179.98 6.37 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.668 0.787 . . . . 63.54 112.197 -176.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -123.55 143.41 50.22 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.324 1.05 . . . . 74.54 109.863 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.5 t30 . . . . . 0 CA--C 1.567 1.614 0 C-N-CA 123.721 0.809 . . . . 71.23 111.063 178.11 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.9 m . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 110.608 -0.145 . . . . 71.13 110.608 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -69.25 135.16 50.11 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.115 0.566 . . . . 75.34 111.877 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.0 ptp -143.75 129.29 9.87 Favored Pre-proline 0 CA--C 1.559 1.319 0 C-N-CA 123.533 0.733 . . . . 75.43 109.876 172.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.43 164.83 6.56 Favored 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 123.172 2.582 . . . . 63.1 114.848 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 71.75 134.1 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 125.962 1.705 . . . . 72.25 113.076 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -75.81 120.21 20.86 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.714 -0.676 . . . . 74.43 109.871 172.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -71.51 87.67 0.9 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.723 0.809 . . . . 73.5 112.132 -172.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.93 -69.97 0.99 Allowed Glycine 0 CA--C 1.546 2.026 0 N-CA-C 116.48 1.352 . . . . 75.54 116.48 166.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.457 ' H ' HD12 ' A' ' 9' ' ' ILE . 3.7 mp -73.25 95.38 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 124.243 1.017 . . . . 70.35 112.198 -168.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.4 ttp-105 -99.11 -5.58 29.94 Favored 'General case' 0 CA--C 1.568 1.654 0 CA-C-N 115.798 -0.637 . . . . 75.34 109.43 158.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 72.62 -73.22 0.1 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.886 1.674 . . . . 75.21 114.147 170.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -67.55 113.42 5.36 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.445 0.698 . . . . 75.04 112.614 -170.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -122.59 115.79 22.75 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.218 1.007 . . . . 73.35 108.451 171.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.6 p -75.78 166.23 23.84 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 112.069 0.396 . . . . 73.53 112.069 -176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -63.07 -50.59 69.98 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.93 0.715 . . . . 72.54 112.93 -169.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 1.2 pm0 -62.21 -27.37 68.93 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 112.576 0.584 . . . . 64.43 112.576 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.87 -50.74 61.53 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.212 0.53 . . . . 65.45 110.887 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.445 HD23 ' HE1' ' A' ' 53' ' ' TRP . 92.8 mt -63.95 -30.88 71.92 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 115.672 -0.695 . . . . 70.42 112.084 177.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.43 -47.21 82.83 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.951 0.9 . . . . 61.44 111.995 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.515 ' HG3' HG22 ' A' ' 42' ' ' ILE . 18.7 mm-40 -63.85 -38.74 92.21 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.062 0.545 . . . . 75.12 111.268 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 HD11 HD11 ' A' ' 45' ' ' LEU . 98.5 mt -64.57 -37.21 86.78 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 115.227 -0.897 . . . . 71.41 111.538 176.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -72.86 -34.2 66.59 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 112.732 0.642 . . . . 74.31 112.732 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.3 -42.52 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-O 121.273 0.559 . . . . 71.54 110.112 172.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 t -64.24 -37.32 87.07 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 115.26 -0.882 . . . . 74.01 111.447 173.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.445 ' OH ' ' HA ' ' A' ' 58' ' ' ARG . 85.2 t80 -69.19 -47.93 63.53 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.613 0.765 . . . . 74.31 112.534 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.38 -34.1 76.06 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.079 0.552 . . . . 74.31 111.517 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -74.73 -47.87 28.95 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 123.709 0.804 . . . . 74.44 111.015 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 31' ' ' PRO . 1.6 p-10 -146.59 105.37 3.84 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.666 1.186 . . . . 75.24 110.664 -174.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -71.15 -24.08 62.19 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.279 0.632 . . . . 73.15 110.791 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -126.86 92.29 44.97 Favored Pre-proline 0 CA--C 1.564 1.514 0 C-N-CA 124.5 1.12 . . . . 74.33 109.429 178.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HB3' ' ND2' ' A' ' 28' ' ' ASN . 41.7 Cg_endo -87.96 169.73 6.37 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 123.197 2.598 . . . . 62.54 114.327 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -82.98 169.23 16.21 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.808 0.843 . . . . 71.34 111.535 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.87 -45.79 90.91 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.53 0.732 . . . . 74.51 112.059 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.0 t -62.34 -32.2 72.94 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.918 0.887 . . . . 63.11 112.353 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -62.26 -47.93 82.16 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.102 0.561 . . . . 73.22 110.864 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' A' ' 40' ' ' MET . 66.2 mt -63.39 -38.01 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 CA-C-N 115.105 -0.952 . . . . 75.32 111.534 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.644 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 78.9 mt -59.8 -46.24 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 123.138 0.575 . . . . 73.51 111.315 176.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -58.76 -49.52 77.35 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.709 -0.678 . . . . 73.15 110.91 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.54 -31.15 67.67 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.683 0.793 . . . . 72.22 112.569 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.644 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 52.7 mtm -62.82 -40.7 98.2 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 120.878 0.37 . . . . 74.12 111.267 175.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -77.23 -32.29 55.69 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.337 0.655 . . . . 73.42 112.249 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.515 HG22 ' HG3' ' A' ' 20' ' ' GLU . 45.6 mm -76.56 -39.25 32.51 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.134 0 C-N-CA 122.957 0.503 . . . . 72.01 110.732 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.7 p -90.65 -61.62 1.63 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.644 0.378 . . . . 74.13 111.333 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.66 -3.91 8.66 Favored Glycine 0 N--CA 1.481 1.639 0 C-N-CA 123.309 0.48 . . . . 61.2 112.744 -172.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.468 HD11 HD11 ' A' ' 21' ' ' LEU . 85.5 mt -85.43 172.58 10.92 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.843 0.857 . . . . 73.33 112.089 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.7 p -96.57 163.58 12.97 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.498 0.719 . . . . 75.21 111.024 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -57.98 -40.36 80.47 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.793 0.837 . . . . 71.32 112.164 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.19 -42.05 99.72 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-N 116.487 -0.324 . . . . 71.14 113.457 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -65.23 -41.36 94.48 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.232 0.613 . . . . 72.25 111.819 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.2 mt -74.03 -43.28 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.234 0.613 . . . . 73.41 112.005 -174.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -60.31 -45.1 94.57 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 122.662 0.385 . . . . 75.1 111.03 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -62.1 -39.97 94.28 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.695 -0.684 . . . . 75.1 111.101 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.445 ' HE1' HD23 ' A' ' 18' ' ' LEU . 85.9 t90 -57.98 -48.19 80.75 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 122.734 0.414 . . . . 74.45 111.134 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 52.9 m-85 -59.34 -31.01 68.8 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 122.99 0.516 . . . . 75.45 112.114 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 t -70.26 -53.72 15.72 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.407 0.683 . . . . 72.12 111.718 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.82 -35.87 81.9 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.849 0.86 . . . . 71.02 112.69 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.9 m -75.16 -27.75 59.84 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.523 0.729 . . . . 63.23 110.88 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -68.88 -38.42 79.67 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.065 0.546 . . . . 75.15 110.116 170.754 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -64.63 -38.38 90.81 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.558 -0.747 . . . . 73.31 110.896 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -57.36 -37.66 72.94 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 123.718 0.807 . . . . 71.14 112.474 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -72.96 -34.89 66.78 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 112.532 0.568 . . . . 74.32 112.532 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -89.83 0.67 56.89 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 122.716 0.406 . . . . 73.14 111.808 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -95.24 -30.6 13.9 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.736 0.815 . . . . 75.45 110.481 172.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.8 p -66.6 134.88 53.23 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.223 0.609 . . . . 71.11 110.671 177.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -55.02 -45.39 75.13 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.255 1.022 . . . . 75.11 112.876 -174.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m 65.05 172.62 0.21 Allowed 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.824 1.249 . . . . 71.22 112.873 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -146.27 112.33 5.74 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.718 0.407 . . . . 74.34 111.034 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -85.11 98.53 10.49 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.067 0.547 . . . . 73.34 109.746 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.02 -55.76 5.03 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.941 0.496 . . . . 74.01 111.242 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.73 115.9 9.5 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.256 0.623 . . . . 71.1 110.056 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -109.02 100.5 9.68 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.53 0.732 . . . . 74.45 110.76 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.32 176.19 9.32 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.216 0.606 . . . . 74.13 110.717 170.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -66.43 97.61 0.43 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.656 0.382 . . . . 70.41 110.438 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 CA--C 1.566 1.576 0 C-N-CA 123.634 0.773 . . . . 73.12 111.87 -178.473 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.5 m . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 120.636 0.255 . . . . 63.34 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -125.23 152.51 44.48 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.521 1.129 . . . . 74.32 109.056 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.1 mtm -64.16 134.76 96.06 Favored Pre-proline 0 CA--C 1.563 1.445 0 CA-C-O 118.96 -0.543 . . . . 75.04 110.496 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -53.39 105.91 0.14 Allowed 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.944 2.43 . . . . 71.22 114.064 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -77.87 77.74 4.38 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.391 0.676 . . . . 72.53 110.924 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -158.24 165.5 34.69 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.69 0.796 . . . . 71.52 110.99 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -84.75 -25.24 28.41 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.152 0.981 . . . . 75.32 111.614 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.43 54.06 37.16 Favored Glycine 0 C--N 1.357 1.695 0 CA-C-N 116.492 -0.322 . . . . 71.32 112.506 -174.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.49 99.56 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 124.227 1.011 . . . . 75.33 111.914 -168.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 61.54 -72.72 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 125.47 1.508 . . . . 74.01 111.734 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.97 92.38 0.37 Allowed 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.558 0.743 . . . . 74.31 110.39 171.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.571 ' HZ1' ' HB2' ' A' ' 12' ' ' LYS . 5.0 ttmp? -116.82 151.8 35.75 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.541 1.136 . . . . 72.45 110.729 -174.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -128.14 86.1 2.43 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.071 0.548 . . . . 73.14 110.682 174.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.0 p -86.47 170.27 12.1 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 122.822 0.449 . . . . 74.53 110.073 169.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -62.4 -36.21 81.61 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.412 0.285 . . . . 74.03 110.279 174.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.05 -50.15 71.78 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.683 0.793 . . . . 61.55 112.082 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 92.8 mt-30 -66.07 -46.64 76.99 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.539 0.736 . . . . 65.52 111.457 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.95 -33.73 76.48 Favored 'General case' 0 CA--C 1.563 1.453 0 C-N-CA 124.573 1.149 . . . . 72.24 111.128 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.411 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -66.59 -40.84 89.09 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.467 0.707 . . . . 71.33 112.551 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -65.49 -35.72 81.74 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 121.223 0.535 . . . . 74.24 111.566 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.525 HD23 HG22 ' A' ' 50' ' ' ILE . 71.7 mt -64.46 -34.84 79.14 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 115.59 -0.732 . . . . 64.44 110.995 174.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -67.82 -39.9 83.86 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.258 0.623 . . . . 72.51 111.991 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 19' ' ' ALA . 94.0 t -57.39 -35.0 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 122.918 0.487 . . . . 73.2 111.331 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.7 t -74.74 -50.03 18.9 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.816 0.446 . . . . 73.35 111.757 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.425 ' HB2' ' HZ3' ' A' ' 53' ' ' TRP . 57.1 t80 -59.39 -36.54 76.01 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.526 1.13 . . . . 75.35 112.973 -173.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.18 -17.5 61.93 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.635 0.774 . . . . 75.21 113.034 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -89.07 -57.32 2.94 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 109.504 -0.554 . . . . 75.53 109.504 166.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -145.97 137.69 25.02 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.297 0.639 . . . . 72.23 110.348 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -72.12 -34.64 68.73 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.813 0.445 . . . . 73.33 110.932 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' HE1' ' HD3' ' A' ' 58' ' ' ARG . 89.1 m-85 -131.94 87.33 44.93 Favored Pre-proline 0 CA--C 1.558 1.281 0 C-N-CA 123.701 0.8 . . . . 75.54 110.336 177.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -80.29 -174.69 2.36 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 123.186 2.591 . . . . 75.34 113.107 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -68.18 157.71 34.81 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.672 0.389 . . . . 74.3 111.418 174.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.443 ' O ' HG13 ' A' ' 37' ' ' ILE . 9.4 p-10 -63.1 -28.06 69.81 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 112.427 0.529 . . . . 75.11 112.427 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.2 p -63.57 -39.09 93.5 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.639 0.776 . . . . 71.5 112.302 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -65.45 -36.19 83.17 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.766 0.826 . . . . 73.41 110.75 176.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -68.79 -33.89 61.79 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 CA-C-N 115.041 -0.982 . . . . 71.02 111.213 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 33' ' ' ASP . 84.3 mt -67.42 -35.45 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 123.063 0.545 . . . . 74.44 110.851 174.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -57.06 -45.93 82.86 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 122.917 0.487 . . . . 63.54 110.538 170.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.433 ' HB2' HD11 ' A' ' 50' ' ' ILE . 64.7 mt -63.84 -38.45 91.15 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 115.737 -0.665 . . . . 75.04 111.261 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.6 mtp -62.13 -35.9 80.16 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 123.596 0.758 . . . . 73.13 111.97 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -72.16 -23.12 61.24 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.503 0.721 . . . . 72.04 112.864 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.9 mm -100.7 -38.18 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 122.635 0.374 . . . . 74.02 111.579 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.1 p -85.65 -29.77 23.76 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.604 0.762 . . . . 73.4 111.751 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.46 8.44 87.76 Favored Glycine 0 CA--C 1.541 1.706 0 CA-C-N 116.525 -0.307 . . . . 73.14 113.536 -173.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -90.68 -175.25 4.35 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.939 0.896 . . . . 75.33 111.149 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.8 p -109.04 172.5 6.81 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.555 0.342 . . . . 74.42 110.166 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -54.76 -34.43 62.56 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.552 0.741 . . . . 73.41 111.558 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.21 -47.8 89.07 Favored Glycine 0 CA--C 1.539 1.573 0 N-CA-C 114.932 0.733 . . . . 62.33 114.932 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -66.58 -35.22 79.69 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 117.429 0.615 . . . . 75.1 111.639 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.525 HG22 HD23 ' A' ' 21' ' ' LEU . 69.0 mt -74.17 -42.46 51.48 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 CA-C-N 115.457 -0.792 . . . . 74.33 111.74 -177.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' HZ3' ' HD2' ' A' ' 30' ' ' PHE . 29.8 mmmt -66.34 -41.31 89.77 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.42 0.688 . . . . 74.45 111.263 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -57.91 -41.05 81.86 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.355 0.662 . . . . 63.52 111.106 172.55 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.425 ' HZ3' ' HB2' ' A' ' 25' ' ' TYR . 80.1 t90 -65.28 -48.25 73.81 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.281 -0.418 . . . . 65.04 111.102 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -56.13 -43.01 77.81 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.163 0.585 . . . . 74.02 111.97 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -68.6 -51.21 44.97 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.53 0.732 . . . . 62.31 112.13 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.54 -27.33 67.67 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.629 0.771 . . . . 64.5 112.754 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.6 m -72.38 -28.31 62.93 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 122.768 0.427 . . . . 74.33 111.289 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.561 ' HD3' ' HE1' ' A' ' 30' ' ' PHE . 56.2 mtm180 -64.61 -39.72 94.23 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.915 -0.491 . . . . 74.44 110.776 170.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.493 ' HA ' ' HG2' ' A' ' 62' ' ' ARG . 88.6 t80 -64.23 -38.66 91.84 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.924 -0.58 . . . . 75.42 110.676 172.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -64.35 -24.55 67.68 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 123.961 0.904 . . . . 74.53 111.276 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -81.83 -45.35 15.66 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.478 0.711 . . . . 71.24 112.348 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.493 ' HG2' ' HA ' ' A' ' 59' ' ' TYR . 8.5 ptm180 -71.58 -28.3 63.74 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 122.091 -0.381 . . . . 74.32 111.989 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -107.08 45.66 0.97 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 124.268 1.027 . . . . 63.42 109.042 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.8 p -84.44 53.96 2.83 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.638 0.775 . . . . 74.21 112.02 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -160.84 123.93 3.31 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.884 1.274 . . . . 64.52 107.651 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.2 m 58.21 30.23 19.13 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 122.078 0.942 . . . . 72.32 110.306 -166.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -78.23 102.09 7.43 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.123 -1.399 . . . . 72.21 111.606 -167.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -159.02 174.01 15.59 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.926 0.89 . . . . 64.1 110.403 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 82.2 m -74.63 89.52 2.23 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 121.225 0.536 . . . . 74.14 110.769 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.1 mt -76.43 166.87 22.81 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 115.686 -0.688 . . . . 71.24 111.413 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -123.92 159.29 30.04 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.147 0.579 . . . . 70.55 112.194 -173.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -127.91 89.26 2.9 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.204 1.002 . . . . 74.32 108.946 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.36 102.05 2.52 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 116.103 -0.499 . . . . 53.45 110.658 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.9 m120 . . . . . 0 CA--C 1.565 1.526 0 C-N-CA 123.712 0.805 . . . . 74.41 110.567 -178.854 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 120.49 0.186 . . . . 63.34 111.441 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -137.24 110.6 7.91 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 108.227 -1.027 . . . . 72.13 108.227 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.0 mtt 71.46 151.28 0.14 Allowed Pre-proline 0 N--CA 1.497 1.878 0 C-N-CA 124.913 1.285 . . . . 75.31 110.598 -162.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.02 92.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.385 2.475 0 C-N-CA 122.709 2.273 . . . . 73.12 114.08 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -75.95 136.1 40.05 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.68 0.792 . . . . 74.32 111.589 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 m 58.22 38.44 26.2 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.145 0.978 . . . . 74.24 111.588 -175.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -62.2 95.35 0.06 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.971 0.909 . . . . 70.5 111.81 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.83 153.64 10.28 Favored Glycine 0 C--N 1.349 1.256 0 CA-C-N 116.172 -0.467 . . . . 71.2 112.902 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.4 mm -75.26 114.96 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.272 0 C-N-CA 123.18 0.592 . . . . 75.52 110.604 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.27 31.63 5.08 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 125.021 1.328 . . . . 75.01 112.133 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.81 68.41 9.92 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.18 0.592 . . . . 72.45 111.494 176.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -165.38 129.35 2.33 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.786 0.835 . . . . 74.34 110.915 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 53' ' ' TRP . 55.9 mttp -108.94 130.6 55.46 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.64 0.776 . . . . 74.21 110.323 173.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.7 p -81.98 162.92 22.48 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.631 0.372 . . . . 63.01 110.466 174.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.69 -30.75 70.12 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.14 0.576 . . . . 75.34 111.494 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.53 -49.77 61.79 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.032 0.933 . . . . 70.23 110.406 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -63.72 -40.67 97.33 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.706 0.803 . . . . 74.33 111.915 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.37 -37.77 86.04 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.504 1.122 . . . . 71.43 110.954 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.59 84.2 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.276 0.63 . . . . 75.42 112.345 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -62.04 -41.43 98.11 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.321 0.582 . . . . 73.22 110.841 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.68 -34.59 75.94 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 115.11 -0.95 . . . . 74.34 111.433 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -67.8 -43.82 78.8 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.343 0.657 . . . . 73.34 112.232 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.15 -38.58 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 122.617 0.367 . . . . 75.32 110.786 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.9 t -65.12 -35.98 82.82 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.113 0.565 . . . . 72.1 111.414 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -68.42 -41.13 80.82 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.53 0.732 . . . . 75.12 111.666 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.1 -37.67 83.59 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.437 0.695 . . . . 72.14 111.707 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -74.68 -41.59 59.98 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.888 0.475 . . . . 75.22 111.771 175.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -159.65 126.83 4.62 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 122.673 0.389 . . . . 72.22 111.339 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -73.64 -19.54 60.82 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.28 0.632 . . . . 74.12 112.289 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -117.59 80.89 13.86 Favored Pre-proline 0 CA--C 1.558 1.279 0 C-N-CA 123.872 0.869 . . . . 73.42 110.793 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.94 131.99 20.62 Favored 'Trans proline' 0 C--N 1.374 1.919 0 C-N-CA 122.096 1.864 . . . . 75.21 111.545 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -70.99 142.46 50.97 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.968 0.507 . . . . 73.35 110.496 177.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.402 ' HA ' HD13 ' A' ' 36' ' ' ILE . 5.2 m-20 -55.22 -27.11 43.83 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.996 1.11 . . . . 75.21 113.996 -174.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.3 p -65.58 -48.71 71.43 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.473 0.709 . . . . 72.2 111.318 171.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 38' ' ' ARG . 43.4 tt0 -67.52 -26.03 66.13 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.098 0.959 . . . . 72.24 111.971 175.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.62 HD12 ' HG2' ' A' ' 51' ' ' LYS . 93.1 mt -69.71 -33.98 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 122.81 0.444 . . . . 72.54 110.518 175.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.12 -35.21 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 122.513 0.325 . . . . 63.53 110.501 171.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 56.3 ttt85 -59.28 -50.98 71.9 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 122.725 0.41 . . . . 73.21 110.462 170.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.32 -25.53 68.08 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.496 0.718 . . . . 75.34 112.383 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 86.5 mtp -70.57 -32.95 70.55 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.042 0.537 . . . . 64.21 110.906 174.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -81.04 -24.35 37.94 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.274 0.629 . . . . 71.31 112.029 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.0 mm -83.75 -57.6 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.385 0.674 . . . . 72.21 111.095 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -80.77 -34.07 34.48 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 112.514 0.561 . . . . 72.52 112.514 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.91 12.87 78.97 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 116.869 -0.151 . . . . 73.24 113.364 -174.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.7 mt -88.92 164.24 15.23 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.558 0.743 . . . . 73.55 110.515 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.5 p -79.01 161.87 26.32 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.643 0.377 . . . . 63.22 111.111 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -55.47 -41.72 73.36 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.231 0.612 . . . . 75.45 111.18 172.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.91 -37.64 94.94 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 116.057 -0.52 . . . . 73.44 113.743 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -71.92 -44.15 64.12 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 117.167 0.484 . . . . 72.12 111.701 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.3 mt -65.1 -52.27 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 123.27 0.628 . . . . 72.25 111.792 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.62 ' HG2' HD12 ' A' ' 36' ' ' ILE . 35.8 mtpt -62.12 -42.51 99.31 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 112.22 0.452 . . . . 75.32 112.22 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HZ2' ' HB3' ' A' ' 52' ' ' LYS . 7.1 ttpm? -66.49 -31.89 72.91 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 123.076 0.55 . . . . 71.31 110.956 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.414 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 76.7 t90 -62.57 -49.88 73.51 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.949 0.5 . . . . 74.51 110.138 172.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -64.55 -34.63 78.68 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.334 0.654 . . . . 74.21 111.586 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 m -67.58 -39.68 84.87 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.323 0.649 . . . . 74.54 111.103 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.26 -47.26 74.28 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.833 0.453 . . . . 73.54 110.73 175.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.2 m -63.75 -33.01 74.71 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 123.561 0.744 . . . . 73.3 111.171 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -72.72 -36.15 67.72 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.588 0.755 . . . . 74.23 111.786 170.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -60.23 -44.86 94.86 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.441 0.697 . . . . 75.01 110.977 173.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -59.32 -32.16 69.82 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.129 0.572 . . . . 73.31 111.582 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -60.05 -36.95 78.43 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.42 0.688 . . . . 74.51 112.259 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -62.11 -52.07 65.37 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.184 0.594 . . . . 75.34 111.109 176.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -100.97 18.44 19.65 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 115.41 -0.814 . . . . 71.14 112.779 -172.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.5 t -74.75 82.32 2.1 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.206 0.527 . . . . 72.44 111.699 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.81 177.44 4.67 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.755 0.822 . . . . 74.33 110.046 174.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.406 ' HA ' ' HB3' ' A' ' 71' ' ' HIS . 45.5 t -59.17 -64.24 1.01 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.32 0.648 . . . . 72.25 111.661 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 55.79 -154.28 0.31 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.137 0.975 . . . . 63.13 110.665 -176.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -90.45 -42.14 11.04 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 121.8 -0.563 . . . . 74.53 110.883 169.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 90.2 m -141.91 90.56 2.28 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.402 0.681 . . . . 74.3 110.531 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.2 tp -154.8 -66.92 0.13 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 122.554 0.341 . . . . 74.45 111.077 177.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 66' ' ' SER . 86.4 t60 -78.59 91.2 4.57 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.503 -0.555 . . . . 70.42 109.503 171.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 tt -86.05 93.47 8.99 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 109.618 -0.512 . . . . 72.1 109.618 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -94.17 154.57 17.51 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.678 0.791 . . . . 70.53 110.968 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.3 t30 . . . . . 0 N--CA 1.489 1.502 0 C-N-CA 123.523 0.729 . . . . 73.21 110.325 -176.621 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 119.95 -0.071 . . . . 71.01 111.166 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -158.53 16.06 0.2 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 112.525 0.565 . . . . 74.21 112.525 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.2 ptp -153.23 86.63 4.03 Favored Pre-proline 0 CA--C 1.568 1.66 0 C-N-CA 123.093 0.557 . . . . 72.32 111.512 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -89.41 -167.92 0.3 Allowed 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 123.022 2.481 . . . . 74.04 113.249 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -71.09 87.04 0.76 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.944 0.498 . . . . 74.42 109.813 170.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 t -117.41 -79.89 0.6 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.121 0.568 . . . . 74.54 110.697 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 55.25 27.89 10.43 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.758 1.223 . . . . 74.42 113.287 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.42 -34.51 90.1 Favored Glycine 0 C--N 1.355 1.585 0 CA-C-N 116.323 -0.399 . . . . 72.55 112.552 174.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -103.28 104.42 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 N-CA-C 108.787 -0.819 . . . . 74.54 108.787 173.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -105.34 -2.12 24.3 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.521 0.728 . . . . 74.3 110.925 172.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.74 108.51 6.62 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.564 0.746 . . . . 72.41 110.986 177.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -85.28 10.27 12.99 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 124.159 0.984 . . . . 72.22 110.797 175.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -61.58 135.98 57.85 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.575 1.15 . . . . 72.32 110.858 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.1 p -68.71 154.2 42.38 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.475 0.31 . . . . 61.03 110.696 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.14 -25.87 65.83 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.881 0.472 . . . . 75.0 111.654 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -58.24 -50.69 72.68 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.45 1.1 . . . . 65.54 110.876 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 93.0 mt-30 -69.02 -50.41 48.96 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 114.618 -1.174 . . . . 74.13 110.944 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.12 -38.79 80.46 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 125.648 1.579 . . . . 72.53 111.719 -173.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.33 -38.7 78.32 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.41 0.684 . . . . 72.43 112.363 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -66.81 -34.14 77.16 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.042 0.449 . . . . 74.53 111.679 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.565 HD22 HG21 ' A' ' 50' ' ' ILE . 74.7 mt -66.07 -36.75 84.05 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.747 -0.66 . . . . 74.43 110.819 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 97.1 mttt -62.07 -38.08 87.44 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.153 0.581 . . . . 75.31 112.078 175.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.8 -42.63 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 123.066 0.546 . . . . 64.44 110.945 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.3 t -67.98 -38.09 82.29 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 115.707 -0.679 . . . . 71.15 111.584 175.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.534 ' HH ' ' HA ' ' A' ' 58' ' ' ARG . 92.7 t80 -64.03 -38.76 92.26 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.511 0.724 . . . . 75.31 111.933 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 98.1 mt -62.18 -27.36 68.91 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.48 0.712 . . . . 74.02 111.575 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -80.09 -50.57 10.15 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-O 121.349 0.595 . . . . 74.24 110.05 172.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.46 135.74 3.06 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 114.733 -1.122 . . . . 52.45 111.639 -170.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -73.24 -31.88 64.39 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.884 0.85 . . . . 70.32 110.191 172.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -117.07 87.47 23.08 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.197 0.999 . . . . 72.21 108.804 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.59 178.09 5.45 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.859 2.373 . . . . 74.4 113.278 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -62.68 -79.35 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.793 0.837 . . . . 73.42 111.196 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -179.73 -52.15 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.579 1.152 . . . . 74.42 108.155 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.1 p -58.74 -40.72 84.62 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.701 1.201 . . . . 63.43 112.806 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.26 -41.0 83.32 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.4 0.68 . . . . 71.12 111.156 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.45 HG21 ' HG3' ' A' ' 47' ' ' LYS . 33.8 mt -70.85 -37.94 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 123.399 0.68 . . . . 75.12 111.099 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.541 ' HA ' ' HE3' ' A' ' 40' ' ' MET . 79.5 mt -62.5 -41.52 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 C-N-CA 123.424 0.69 . . . . 74.32 110.967 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -58.39 -46.73 85.82 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.001 0.92 . . . . 71.53 110.761 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.4 -37.99 82.58 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.501 0.72 . . . . 71.24 111.744 175.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.541 ' HE3' ' HA ' ' A' ' 37' ' ' ILE . 49.4 mtm -59.83 -42.11 92.83 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-O 121.07 0.462 . . . . 71.24 111.515 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.03 -36.84 67.02 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 115.42 -0.809 . . . . 72.33 112.23 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.6 mm -74.2 -57.1 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 123.122 0.569 . . . . 72.34 111.41 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.0 p -76.91 -43.66 34.7 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.576 0.75 . . . . 72.3 112.422 -173.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.11 -2.9 37.94 Favored Glycine 0 N--CA 1.481 1.695 0 CA-C-N 116.446 -0.343 . . . . 73.12 113.163 -174.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 mt -80.9 162.29 24.0 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.943 0.897 . . . . 74.11 111.395 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.6 p -88.95 160.74 17.0 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 122.65 0.38 . . . . 74.24 110.549 173.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.45 ' HG3' HG21 ' A' ' 36' ' ' ILE . 38.0 ttmt -55.99 -39.7 72.23 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.763 0.825 . . . . 73.51 111.461 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.61 -43.4 98.99 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 115.836 -0.62 . . . . 65.24 113.664 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.45 -39.28 91.86 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.694 0.798 . . . . 74.23 112.567 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.565 HG21 HD22 ' A' ' 21' ' ' LEU . 92.7 mt -67.85 -47.91 77.51 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.07 0 C-N-CA 123.708 0.803 . . . . 74.13 111.192 -178.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.525 ' HA ' ' HD2' ' A' ' 54' ' ' PHE . 7.3 mtpm? -70.27 -29.04 65.71 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.108 0.563 . . . . 74.34 111.699 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -63.89 -43.49 95.84 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.774 0.83 . . . . 72.34 110.665 171.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -61.36 -43.79 98.28 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 114.795 -1.093 . . . . 71.24 111.643 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.525 ' HD2' ' HA ' ' A' ' 51' ' ' LYS . 39.0 m-85 -55.34 -34.73 64.49 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 123.509 0.724 . . . . 64.44 112.781 -178.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.3 m -61.88 -48.34 80.94 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.688 0.795 . . . . 74.1 111.806 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -71.34 -29.21 64.72 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.316 0.646 . . . . 75.42 112.007 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.3 m -67.73 -31.71 71.82 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 113.1 0.778 . . . . 75.31 113.1 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.534 ' HA ' ' HH ' ' A' ' 25' ' ' TYR . 19.0 ttt180 -65.43 -36.71 84.73 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 118.649 0.658 . . . . 74.13 111.214 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.8 -55.83 29.4 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.568 0.747 . . . . 75.11 110.136 168.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -56.47 -30.84 63.4 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.823 1.249 . . . . 65.34 113.0 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -69.63 -54.15 15.31 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.47 1.108 . . . . 71.15 111.56 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -88.31 -9.59 52.32 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 122.962 0.505 . . . . 74.24 112.303 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -121.19 81.94 1.86 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.884 0.874 . . . . 74.52 109.279 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.0 p -99.72 -38.2 8.79 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 115.2 -0.909 . . . . 43.21 110.248 172.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -142.78 116.6 9.3 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.094 1.358 . . . . 72.03 110.113 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.7 m -72.09 94.86 1.56 Allowed 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.001 0.429 . . . . 73.01 110.66 174.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -95.41 169.58 9.96 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.12 0.968 . . . . 74.5 111.812 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -76.85 116.37 17.46 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.028 0.531 . . . . 73.4 110.75 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.5 t 67.38 86.85 0.13 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.925 1.29 . . . . 75.11 112.834 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.7 mp -73.84 158.21 34.95 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.421 0.689 . . . . 75.32 111.675 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -116.96 170.5 8.59 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.545 1.138 . . . . 70.24 110.23 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.6 tp -73.94 93.81 2.25 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.194 0.598 . . . . 74.54 110.654 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -103.8 145.16 30.5 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.694 0.798 . . . . 62.44 111.61 -177.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--O 1.257 1.497 0 N-CA-C 109.065 -0.717 . . . . 73.43 109.065 170.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.5 m . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.587 0.232 . . . . 70.03 111.183 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -151.82 148.32 27.69 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.238 0.615 . . . . 75.43 111.06 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.2 ttm -137.39 81.9 29.77 Favored Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 123.118 0.567 . . . . 75.4 109.755 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -94.8 121.14 0.31 Allowed 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 123.044 2.496 . . . . 73.05 113.148 175.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -84.89 32.19 0.53 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.478 -0.764 . . . . 74.01 111.738 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -58.64 123.73 17.32 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.022 1.329 . . . . 72.25 110.851 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.2 t80 62.41 90.06 0.08 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.59 1.156 . . . . 75.44 110.946 -167.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.15 36.71 0.03 OUTLIER Glycine 0 N--CA 1.476 1.303 0 N-CA-C 114.447 0.539 . . . . 71.22 114.447 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.4 mm -73.88 95.31 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-O 121.207 0.527 . . . . 74.23 109.852 174.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -156.09 -41.76 0.08 Allowed 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.138 0.975 . . . . 74.24 109.822 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.02 104.86 17.22 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.718 0.807 . . . . 60.35 109.217 170.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -74.61 160.48 30.79 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.312 0.645 . . . . 75.24 112.047 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.3 mttm 66.66 177.25 0.23 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 124.876 1.27 . . . . 74.34 111.705 -172.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.8 p -79.91 152.95 29.32 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.843 -0.536 . . . . 74.13 111.74 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -51.17 -47.58 62.12 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.516 1.126 . . . . 65.13 112.241 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -66.32 -45.97 78.46 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.225 0.61 . . . . 63.0 112.355 -174.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -60.33 -50.38 73.84 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.432 0.693 . . . . 73.14 112.094 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.76 -38.54 89.36 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.357 0.663 . . . . 62.2 110.451 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.87 89.72 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.485 0.714 . . . . 73.43 112.35 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -64.83 -33.19 75.4 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 111.91 0.337 . . . . 73.2 111.91 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.82 -38.74 80.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.052 0.541 . . . . 75.42 111.22 173.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -62.77 -45.08 94.34 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.291 0.636 . . . . 75.24 111.227 175.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.05 -41.93 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 123.424 0.69 . . . . 74.02 110.654 174.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -66.59 -27.97 68.14 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 116.042 -0.526 . . . . 71.15 112.108 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -72.96 -34.98 66.85 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.475 0.71 . . . . 74.44 110.776 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.56 -39.9 84.94 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.248 0.619 . . . . 65.54 110.77 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -65.71 -56.79 10.19 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.204 1.002 . . . . 74.5 111.614 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -153.01 125.37 8.12 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.211 1.005 . . . . 74.43 109.898 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -74.43 -20.41 60.05 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.62 0.768 . . . . 74.44 111.664 -172.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -136.18 81.58 37.82 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.629 0.771 . . . . 73.51 109.795 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.99 133.27 30.55 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.675 2.25 . . . . 74.24 111.787 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -68.73 -70.95 0.24 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.53 0.732 . . . . 73.13 111.606 -172.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.443 ' O ' HG12 ' A' ' 37' ' ' ILE . 1.1 p30 -159.32 -43.23 0.05 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.637 0.775 . . . . 73.12 111.522 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.4 t -58.52 -43.43 89.14 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 123.598 0.759 . . . . 72.25 112.571 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.24 -38.18 89.56 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 121.224 0.535 . . . . 75.13 110.551 175.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.517 HG21 ' HD2' ' A' ' 47' ' ' LYS . 54.2 mt -68.91 -31.43 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 C-N-CA 123.55 0.74 . . . . 74.42 111.402 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 33' ' ' ASP . 46.7 mm -57.81 -46.2 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 123.239 0.616 . . . . 74.45 110.161 175.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -56.99 -58.55 7.66 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.239 -0.891 . . . . 72.21 110.686 170.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.2 mt -55.53 -36.72 67.06 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.933 0.893 . . . . 73.41 113.071 -174.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 74.5 mtm -69.01 -40.68 78.54 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.873 0.469 . . . . 75.21 111.888 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -79.94 -25.93 40.26 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.771 0.428 . . . . 71.43 111.92 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.6 mm -81.74 -56.31 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 C-N-CA 123.534 0.733 . . . . 72.13 111.257 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.8 p -83.14 -38.79 21.92 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.806 0.443 . . . . 74.24 112.079 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.34 -22.68 28.52 Favored Glycine 0 N--CA 1.477 1.37 0 CA-C-N 116.127 -0.488 . . . . 53.21 112.572 -172.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.31 136.56 49.89 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.011 0.924 . . . . 74.03 111.581 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.6 p -82.94 177.54 8.58 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.941 1.089 . . . . 75.02 113.941 -170.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.517 ' HD2' HG21 ' A' ' 36' ' ' ILE . 24.4 tptm -54.86 -55.85 25.92 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.655 1.182 . . . . 74.2 112.604 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.13 -33.33 84.99 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-N 116.103 -0.498 . . . . 51.12 113.687 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -61.16 -47.61 85.38 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 124.133 0.973 . . . . 72.54 111.552 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.7 mt -68.83 -49.19 66.06 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 124.175 0.99 . . . . 75.42 111.273 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -55.9 -34.05 65.2 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.519 0.728 . . . . 74.1 112.476 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -65.03 -50.17 67.31 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.756 0.822 . . . . 75.41 110.25 174.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -57.42 -48.3 79.48 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.863 0.865 . . . . 75.31 112.632 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -61.81 -29.2 70.0 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.469 0.708 . . . . 75.34 112.779 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.4 m -66.48 -48.09 71.0 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 122.818 0.447 . . . . 63.52 111.279 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -71.97 -29.1 63.9 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.414 0.686 . . . . 73.41 112.046 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.0 m -73.61 -37.66 65.34 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.2 0.6 . . . . 73.53 111.036 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -58.63 -44.78 90.14 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.81 0.444 . . . . 75.32 110.779 170.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -58.43 -51.01 71.63 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.676 0.791 . . . . 72.24 111.774 174.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -65.09 -36.38 84.13 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.011 0.925 . . . . 63.3 111.631 -175.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -12.64 61.54 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.571 0.748 . . . . 72.42 111.443 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -129.55 18.63 5.77 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.399 0.68 . . . . 75.24 111.69 177.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -94.12 151.21 19.66 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.637 0.775 . . . . 64.33 110.256 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.9 m -75.62 6.32 4.96 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 113.852 1.056 . . . . 74.11 113.852 -175.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -87.73 92.47 9.12 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.082 0.553 . . . . 74.23 111.416 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.0 p -100.23 -34.11 10.15 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.789 0.836 . . . . 73.54 111.783 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -71.69 82.04 0.86 Allowed 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.631 0.772 . . . . 74.52 111.499 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.89 147.71 13.46 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.611 0.764 . . . . 72.02 109.476 -174.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 36.5 t 64.78 32.79 10.79 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.672 1.189 . . . . 71.52 112.701 175.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.42 -54.43 17.15 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.169 0.509 . . . . 73.52 110.063 173.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -107.7 118.18 36.06 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.516 0.726 . . . . 74.42 109.726 173.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.525 ' H ' HD23 ' A' ' 72' ' ' LEU . 2.4 pt? -108.74 -176.28 3.0 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.617 0.767 . . . . 74.11 110.781 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -70.35 92.91 0.82 Allowed 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 122.902 0.481 . . . . 55.44 110.087 173.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.57 1.72 0 C-N-CA 123.643 0.777 . . . . 54.43 110.058 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 120.323 0.106 . . . . 55.14 111.097 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -81.36 87.92 6.13 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.376 0.671 . . . . 72.22 109.957 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.7 mtp -78.17 117.98 69.4 Favored Pre-proline 0 N--CA 1.487 1.379 0 C-N-CA 123.445 0.698 . . . . 71.34 112.144 -175.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -85.26 3.23 7.41 Favored 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 122.92 2.413 . . . . 72.12 113.209 173.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -88.43 96.89 10.78 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.795 0.838 . . . . 64.31 111.67 -174.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 m -130.75 88.24 2.59 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 108.871 -0.788 . . . . 73.35 108.871 170.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -121.61 -53.18 2.0 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.68 0.792 . . . . 70.23 111.076 -176.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.35 25.12 57.17 Favored Glycine 0 N--CA 1.481 1.634 0 N-CA-C 114.501 0.561 . . . . 75.43 114.501 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.7 mt -75.19 96.5 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 123.517 0.727 . . . . 73.45 111.016 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 64.17 89.75 0.09 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.639 1.175 . . . . 74.03 112.495 170.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.05 109.06 18.56 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.49 0.716 . . . . 65.33 111.288 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HB3' ' HZ2' ' A' ' 12' ' ' LYS . 5.1 ttpm? -60.97 129.4 41.24 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 110.219 -0.289 . . . . 74.3 110.219 176.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -67.54 106.77 2.26 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.204 0.602 . . . . 74.14 111.928 -172.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.8 p -76.08 -175.82 3.25 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.13 0.972 . . . . 72.24 111.88 -177.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -56.39 -61.07 2.66 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 124.13 0.972 . . . . 74.41 113.031 -169.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -26.53 46.65 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 112.24 0.459 . . . . 73.03 112.24 -175.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -66.66 -47.35 72.79 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.392 0.677 . . . . 74.32 111.125 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.513 HD23 ' HE3' ' A' ' 22' ' ' LYS . 3.0 tt -63.12 -38.03 89.57 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.434 1.094 . . . . 73.42 109.917 175.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.78 88.63 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.586 0.754 . . . . 74.14 112.451 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -69.49 -32.74 71.79 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.689 0.396 . . . . 72.54 112.04 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.99 -32.69 74.09 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.8 0.44 . . . . 73.43 110.976 173.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.513 ' HE3' HD23 ' A' ' 18' ' ' LEU . 99.0 mttt -64.22 -51.08 65.42 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.178 0.591 . . . . 75.13 110.998 174.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.9 t -59.24 -37.56 69.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 123.496 0.718 . . . . 73.5 110.821 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.9 t -69.26 -38.56 78.49 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.663 -0.699 . . . . 73.11 111.364 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.458 ' CD1' ' HB3' ' A' ' 29' ' ' GLN . 89.3 t80 -61.89 -44.37 96.93 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.003 0.921 . . . . 65.44 111.406 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.27 -46.76 85.45 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.024 0.929 . . . . 72.33 112.486 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -79.95 -36.89 35.54 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.385 0.513 . . . . 73.33 112.385 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -164.85 100.44 0.78 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.971 0.509 . . . . 70.13 111.805 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.458 ' HB3' ' CD1' ' A' ' 25' ' ' TYR . 5.8 pt20 -80.9 -3.14 50.36 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.707 0.632 . . . . 75.12 112.707 175.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -128.09 76.55 77.68 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 123.299 0.64 . . . . 74.2 110.989 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.65 149.64 21.1 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 122.562 2.175 . . . . 62.11 112.464 172.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -79.99 -71.32 0.46 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.278 0.631 . . . . 74.51 111.559 -173.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -155.4 -54.95 0.09 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.946 0.498 . . . . 75.21 109.917 -177.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.8 m -59.28 -46.12 89.39 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.886 0.874 . . . . 65.34 112.594 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.45 -30.76 71.79 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.665 0.786 . . . . 72.4 111.398 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.567 HG21 ' HG3' ' A' ' 47' ' ' LYS . 17.9 mt -72.64 -43.39 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.802 178.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.9 mt -65.39 -33.96 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 123.113 0.565 . . . . 74.11 110.879 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -52.55 -55.63 20.84 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.436 0.694 . . . . 74.54 109.923 167.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -56.43 -43.1 79.09 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.757 0.823 . . . . 70.24 112.145 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.492 ' HE2' ' HA ' ' A' ' 46' ' ' THR . 89.5 mtp -60.86 -38.1 84.42 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.629 0.772 . . . . 71.33 112.138 -177.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -86.19 -19.33 30.21 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 112.585 0.587 . . . . 74.22 112.585 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.8 mm -78.4 -45.41 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 CA-C-O 121.544 0.688 . . . . 71.43 110.484 171.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.4 p -94.45 -55.26 3.22 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.038 0.935 . . . . 72.22 111.936 -170.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.65 22.87 6.17 Favored Glycine 0 N--CA 1.481 1.66 0 C-N-CA 123.091 0.377 . . . . 74.42 112.513 -172.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.8 mt -99.08 175.98 5.72 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.163 0.985 . . . . 73.24 111.886 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.492 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 39.6 p -102.1 155.55 18.12 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 116.031 -0.531 . . . . 73.12 110.771 173.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.567 ' HG3' HG21 ' A' ' 36' ' ' ILE . 35.3 ttpt -58.92 -32.33 69.46 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.87 0.868 . . . . 75.32 112.701 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.51 -52.84 35.96 Favored Glycine 0 CA--C 1.54 1.628 0 CA-C-N 116.134 -0.484 . . . . 63.23 113.566 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.02 -33.78 75.0 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 123.622 0.769 . . . . 71.02 112.492 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.46 -46.02 84.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.178 0 C-N-CA 123.286 0.634 . . . . 73.34 111.357 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.75 -40.92 98.77 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 120.795 0.331 . . . . 74.43 111.753 175.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.5 -33.22 75.42 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.314 0.646 . . . . 75.31 111.595 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -64.28 -48.06 77.14 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.476 0.485 . . . . 74.5 110.334 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -60.53 -40.02 89.95 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.946 0.499 . . . . 72.53 111.56 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 t -64.35 -40.98 96.94 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.389 0.676 . . . . 74.45 111.791 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.21 -48.96 66.3 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.35 0.66 . . . . 60.02 111.013 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.5 m -59.14 -41.5 88.45 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.749 0.82 . . . . 74.41 111.104 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -52.31 -47.91 65.69 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.626 0.77 . . . . 72.04 111.863 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -57.13 -45.23 83.66 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.907 0.483 . . . . 75.45 111.457 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -75.34 -11.99 60.17 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 113.12 0.785 . . . . 75.34 113.12 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -91.93 -60.69 1.8 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.283 0.633 . . . . 72.11 111.33 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -68.53 -27.84 66.46 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 112.341 0.496 . . . . 72.4 112.341 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -117.2 88.03 2.82 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 108.713 -0.847 . . . . 74.21 108.713 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 79.7 p -67.53 112.46 4.71 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.764 0.826 . . . . 73.12 112.319 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -86.85 -82.47 0.21 Allowed 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 123.113 0.565 . . . . 74.45 109.971 172.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.5 p -178.32 -67.06 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.467 1.107 . . . . 61.45 109.778 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 59.05 103.44 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.523 1.529 . . . . 75.51 112.373 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -64.37 116.44 6.08 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.705 0.802 . . . . 72.34 110.653 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.7 p -66.1 154.34 39.88 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.13 0.572 . . . . 71.23 111.365 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.4 mp -83.2 43.33 0.87 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.286 0.635 . . . . 75.44 111.959 -173.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -64.38 106.46 1.12 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.915 0.886 . . . . 74.21 110.381 175.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.2 tp -129.61 116.6 19.12 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.29 1.036 . . . . 72.54 110.461 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -85.68 125.23 33.02 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.578 -0.527 . . . . 64.23 109.578 171.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 . . . . . 0 CA--C 1.565 1.521 0 C-N-CA 123.062 0.545 . . . . 75.13 111.364 -176.442 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 120.852 0.358 . . . . 74.52 110.966 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -117.19 98.33 6.39 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.735 0.814 . . . . 73.13 109.869 175.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.1 ttt -140.34 109.15 6.81 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 123.153 0.581 . . . . 75.53 110.241 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -71.99 87.15 0.87 Allowed 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 122.698 2.265 . . . . 75.52 111.468 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -148.49 -76.45 0.17 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.106 0.562 . . . . 74.23 110.612 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m 68.52 -65.41 0.27 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.496 1.518 . . . . 63.24 113.592 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.6 t80 66.85 -78.97 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 125.214 1.405 . . . . 74.13 111.87 -176.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 154.82 150.28 5.5 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 122.92 0.295 . . . . 73.51 112.918 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 mp -84.95 96.79 4.97 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 C-N-CA 123.413 0.685 . . . . 72.23 109.238 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -85.64 -34.68 21.3 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.875 0.87 . . . . 75.23 111.181 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.43 87.48 5.06 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.464 0.705 . . . . 72.42 110.894 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -160.77 -42.59 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.727 0.811 . . . . 74.4 109.97 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.541 ' HE2' ' HB2' ' A' ' 53' ' ' TRP . 39.5 mmtm -81.28 110.71 17.0 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 115.858 -0.61 . . . . 73.31 110.324 172.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.8 p -79.54 159.83 26.73 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 109.766 -0.457 . . . . 72.23 109.766 175.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -64.45 -36.28 83.65 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.655 0.613 . . . . 74.01 112.655 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.99 -35.84 64.47 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 112.551 0.574 . . . . 64.54 112.551 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -65.65 -47.35 75.86 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-O 121.197 0.522 . . . . 63.32 110.477 171.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.715 ' HG ' ' HE1' ' A' ' 53' ' ' TRP . 5.1 tt -56.83 -38.68 72.97 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.531 1.532 . . . . 73.45 110.881 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.27 -45.5 93.1 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.285 1.034 . . . . 73.41 112.697 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -67.17 -35.67 80.16 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.37 0.668 . . . . 74.53 112.036 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.517 HD22 HG22 ' A' ' 50' ' ' ILE . 56.8 mt -69.38 -34.96 75.32 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.402 -0.817 . . . . 70.45 111.245 176.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -58.85 -41.67 87.51 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.683 0.793 . . . . 71.51 111.4 174.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.3 t -55.65 -38.64 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 123.623 0.769 . . . . 72.04 111.599 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 t -72.46 -46.45 54.87 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.103 0.561 . . . . 70.12 111.629 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -59.78 -39.69 85.75 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.183 0.993 . . . . 74.34 112.395 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.42 -31.96 73.39 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.613 0.765 . . . . 73.12 112.013 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -75.41 -47.77 25.88 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.031 0.533 . . . . 74.41 110.245 171.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -171.83 142.12 1.48 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.759 0.823 . . . . 71.52 110.807 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.536 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 62.6 tt0 -65.94 -25.99 67.38 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.366 0.667 . . . . 75.02 111.704 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -117.19 80.36 11.96 Favored Pre-proline 0 CA--C 1.563 1.478 0 C-N-CA 123.685 0.794 . . . . 71.33 110.215 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -82.33 -175.65 2.6 Favored 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 122.759 2.306 . . . . 72.31 113.813 -172.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -60.81 154.25 22.4 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.082 0.553 . . . . 63.13 112.33 172.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.46 -48.41 81.24 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.585 0.754 . . . . 74.54 110.289 174.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.4 m -63.17 -28.85 70.33 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.109 -0.951 . . . . 65.34 112.501 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.16 -47.87 75.51 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.275 0.63 . . . . 72.35 111.193 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.479 HD11 ' HD3' ' A' ' 51' ' ' LYS . 25.0 mt -60.5 -40.42 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 123.317 0.647 . . . . 73.3 110.674 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.403 HG23 ' HE2' ' A' ' 41' ' ' LYS . 75.5 mt -64.45 -40.07 87.77 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 C-N-CA 123.665 0.786 . . . . 74.24 111.559 175.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -61.79 -42.03 98.48 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.537 0.735 . . . . 73.42 109.885 176.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.62 -34.6 78.6 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.539 0.736 . . . . 74.5 111.561 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.3 mtm -61.26 -38.34 86.35 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 120.998 0.428 . . . . 75.35 111.315 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' HE2' HG23 ' A' ' 37' ' ' ILE . 67.0 mttm -72.1 -32.92 67.44 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.724 0.81 . . . . 74.44 112.479 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.0 mm -82.86 -60.56 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 123.101 0.56 . . . . 72.32 111.304 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.2 p -70.83 -43.07 69.3 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.825 0.85 . . . . 73.24 112.432 -173.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.99 20.99 31.7 Favored Glycine 0 CA--C 1.536 1.402 0 CA-C-N 116.298 -0.41 . . . . 61.32 112.997 -171.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -101.4 163.47 12.25 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.16 0.984 . . . . 73.43 110.5 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -88.25 161.99 16.88 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.743 0.417 . . . . 73.4 111.408 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.6 -50.82 71.87 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.589 1.155 . . . . 72.31 112.619 -172.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.65 -32.38 81.26 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 115.611 -0.722 . . . . 74.11 113.846 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -64.99 -39.77 93.96 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.799 0.84 . . . . 70.3 111.056 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.517 HG22 HD22 ' A' ' 21' ' ' LEU . 94.1 mt -67.3 -42.44 87.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.094 0 CA-C-N 114.839 -1.073 . . . . 71.23 110.952 174.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.571 ' HB3' ' HZ1' ' A' ' 51' ' ' LYS . 4.5 mmmp? -61.34 -39.89 92.23 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.49 0.716 . . . . 71.21 112.361 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -65.37 -38.98 91.7 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.846 0.458 . . . . 75.12 111.099 175.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.715 ' HE1' ' HG ' ' A' ' 18' ' ' LEU . 91.3 t90 -54.21 -46.18 72.43 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.918 0.887 . . . . 74.55 112.333 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.536 ' HB3' ' HG3' ' A' ' 29' ' ' GLN . 69.5 m-85 -55.73 -35.12 65.8 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.4 0.68 . . . . 73.0 112.119 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.4 t -70.53 -48.82 53.64 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.683 0.793 . . . . 74.32 111.945 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -65.45 -37.62 87.42 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.109 0.564 . . . . 74.45 111.803 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.1 m -65.82 -36.0 82.27 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.352 1.061 . . . . 75.25 112.632 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -61.11 -38.11 85.18 Favored 'General case' 0 CA--C 1.561 1.381 0 CA-C-O 121.185 0.517 . . . . 75.22 111.309 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -77.5 -35.56 53.45 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 124.043 0.937 . . . . 64.55 111.404 172.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -58.7 -48.65 80.41 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.906 0.882 . . . . 65.32 112.047 -176.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -64.52 -21.58 66.72 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 113.711 1.004 . . . . 74.24 113.711 -174.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.493 ' HG3' ' ND2' ' A' ' 63' ' ' ASN . 5.8 ptp180 -100.07 -5.9 27.24 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 112.19 0.441 . . . . 73.31 112.19 177.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.493 ' ND2' ' HG3' ' A' ' 62' ' ' ARG . 45.1 m-80 -134.5 26.8 3.75 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 123.584 0.754 . . . . 75.15 111.403 176.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.9 t -74.57 92.28 2.38 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.288 0.635 . . . . 73.43 111.799 -175.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -94.55 73.34 3.74 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.87 0.843 . . . . 75.3 109.173 173.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 67.3 p -83.13 77.41 9.76 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.474 -0.785 . . . . 72.22 111.135 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -120.56 105.61 10.98 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.63 -0.714 . . . . 72.12 109.667 174.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.35 -157.87 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.444 0.697 . . . . 74.33 111.408 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.74 82.02 0.44 Allowed 'General case' 0 CA--C 1.557 1.222 0 CA-C-O 121.631 0.729 . . . . 75.04 110.255 171.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.9 tt -68.05 -36.77 80.44 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.61 1.164 . . . . 74.2 111.822 -170.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -93.2 1.66 57.0 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.47 0.708 . . . . 72.41 111.802 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.2 tp -98.92 116.82 32.02 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.535 0.734 . . . . 74.45 111.28 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -94.83 92.8 7.12 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.234 1.014 . . . . 73.33 111.084 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 m120 . . . . . 0 N--CA 1.492 1.67 0 C-N-CA 123.429 0.691 . . . . 72.53 110.984 176.037 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 120.541 0.21 . . . . 61.15 111.085 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -76.5 88.66 3.24 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.353 0.661 . . . . 73.45 111.81 -176.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.1 mtp -133.33 107.15 12.18 Favored Pre-proline 0 N--CA 1.484 1.242 0 C-N-CA 124.221 1.008 . . . . 73.24 109.817 174.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -83.1 13.54 2.62 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.883 2.389 . . . . 74.22 113.386 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.74 142.44 57.39 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 124.432 1.093 . . . . 75.14 112.696 -176.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -140.04 -163.46 1.51 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.803 1.241 . . . . 75.25 108.513 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -65.74 87.78 0.09 Allowed 'General case' 0 CA--C 1.561 1.377 0 N-CA-C 109.293 -0.632 . . . . 72.4 109.293 171.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.66 -22.42 26.28 Favored Glycine 0 N--CA 1.476 1.313 0 CA-C-N 115.734 -0.666 . . . . 53.14 114.113 -174.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.89 122.14 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 123.524 0.729 . . . . 74.32 110.05 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.754 ' HA ' ' HD3' ' A' ' 15' ' ' LYS . 31.7 ttt180 -77.79 -41.47 37.23 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.809 0.844 . . . . 74.23 111.097 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.79 -159.85 0.3 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.726 1.211 . . . . 63.34 111.522 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -80.48 173.02 13.02 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 122.191 -0.318 . . . . 73.4 110.63 169.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 57.92 -171.77 0.1 Allowed 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.241 1.016 . . . . 74.44 111.059 -162.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 p -102.29 163.37 12.27 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.118 -0.989 . . . . 64.13 109.75 169.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.754 ' HD3' ' HA ' ' A' ' 10' ' ' ARG . 2.4 mmmp? -64.89 -34.28 78.03 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.149 0.58 . . . . 74.42 111.422 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.31 -49.09 77.01 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.468 1.107 . . . . 74.21 111.119 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 97.1 mt-30 -66.15 -48.39 70.93 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.253 -0.885 . . . . 75.53 111.829 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.21 -36.86 78.63 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.991 1.316 . . . . 74.23 110.941 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.78 95.31 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.607 0.763 . . . . 63.42 112.277 177.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -67.05 -36.44 82.07 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.338 0.655 . . . . 54.5 111.776 176.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.54 -37.79 88.78 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 115.843 -0.617 . . . . 74.0 110.79 175.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.477 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 88.2 mttt -64.33 -37.52 87.8 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.947 -0.57 . . . . 74.01 112.022 174.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.8 t -58.98 -44.33 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 CA-C-N 118.177 0.444 . . . . 60.12 110.993 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 t -61.75 -41.51 97.76 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 115.849 -0.614 . . . . 73.54 111.508 174.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -64.3 -34.17 77.51 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 124.121 0.968 . . . . 73.45 111.728 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 95.3 mt -71.11 -31.22 67.51 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.257 1.023 . . . . 75.25 111.704 177.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -69.96 -55.9 8.42 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.438 0.637 . . . . 71.24 110.021 172.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -163.89 138.7 5.97 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.487 1.115 . . . . 74.25 109.157 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -76.72 -6.92 54.18 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 112.715 0.635 . . . . 73.5 112.715 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -126.94 78.68 73.69 Favored Pre-proline 0 CA--C 1.563 1.461 0 C-N-CA 123.868 0.867 . . . . 64.31 110.458 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -76.47 156.27 36.51 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.567 2.178 . . . . 73.43 113.063 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -79.32 153.69 29.63 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.455 0.702 . . . . 74.54 110.603 176.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.97 -29.44 60.22 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 112.846 0.684 . . . . 74.33 112.846 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 p -62.97 -47.91 81.14 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.578 0.751 . . . . 54.35 111.355 173.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.98 -33.58 76.37 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.657 0.783 . . . . 72.43 111.213 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.41 ' O ' ' HG3' ' A' ' 40' ' ' MET . 92.2 mt -67.08 -43.58 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 123.298 0.639 . . . . 75.1 111.003 176.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.6 mt -62.33 -36.88 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 C-N-CA 123.2 0.6 . . . . 73.42 111.33 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -53.98 -55.2 29.34 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.159 0.584 . . . . 73.12 109.95 171.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.98 -36.98 80.85 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.044 0.937 . . . . 74.45 112.099 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 84.4 mtp -58.54 -41.7 86.15 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.037 0.935 . . . . 73.21 111.699 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -78.25 -32.37 49.61 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.084 0.553 . . . . 71.44 112.026 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.8 mm -72.89 -38.89 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 C-N-CA 123.068 0.547 . . . . 75.13 111.487 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.421 ' HB ' ' HG2' ' A' ' 17' ' ' GLN . 72.3 p -96.26 -53.24 3.69 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.706 0.802 . . . . 65.11 111.536 -173.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.27 -4.97 17.83 Favored Glycine 0 N--CA 1.481 1.684 0 CA-C-N 116.207 -0.451 . . . . 72.25 112.604 -171.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.77 164.2 23.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.507 1.123 . . . . 71.4 112.317 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.7 p -95.62 174.44 6.99 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.509 0.723 . . . . 74.41 110.634 173.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -60.16 -35.2 74.81 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.441 0.296 . . . . 71.12 111.384 170.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.72 -50.54 66.41 Favored Glycine 0 C--N 1.351 1.372 0 O-C-N 123.416 0.447 . . . . 75.1 112.635 175.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -55.33 -44.38 75.81 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.917 0.887 . . . . 75.51 112.483 177.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.45 -45.09 47.01 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.292 0 C-N-CA 123.45 0.7 . . . . 74.32 111.799 -175.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -60.31 -44.32 95.55 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 123.651 0.781 . . . . 75.51 112.018 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -67.58 -32.94 74.04 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.012 0.525 . . . . 73.42 111.361 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -63.83 -50.56 68.43 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 122.908 0.13 . . . . 72.02 110.671 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -63.27 -31.99 73.28 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.308 0.643 . . . . 74.34 111.498 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.7 t -59.72 -51.01 71.61 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.367 0.667 . . . . 71.3 111.392 175.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -75.06 -30.37 60.97 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 112.762 0.652 . . . . 72.42 112.762 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.6 m -72.37 -44.4 62.61 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.137 0.575 . . . . 75.42 111.705 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -59.23 -34.8 72.63 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 120.546 0.212 . . . . 74.13 111.122 175.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -69.66 -55.86 8.86 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.676 0.791 . . . . 73.34 111.954 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.69 -42.41 98.01 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.109 0.964 . . . . 75.43 112.281 -172.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -68.61 -18.78 64.38 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.053 0.941 . . . . 75.33 113.134 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -106.85 -21.37 13.05 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 118.31 0.505 . . . . 73.43 112.081 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -92.61 98.91 11.73 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.82 0.848 . . . . 75.12 109.28 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.9 p -69.6 92.26 0.63 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.301 0.572 . . . . 64.31 111.042 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -75.24 -26.15 58.66 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.352 0.661 . . . . 74.41 110.991 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.7 m -64.2 113.5 3.6 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.705 0.802 . . . . 64.01 110.915 176.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 59.7 t30 60.47 76.93 0.34 Allowed 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 124.66 1.184 . . . . 72.42 111.293 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -74.44 -63.96 1.13 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.19 0.596 . . . . 74.0 110.599 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 96.0 m -151.6 160.47 43.64 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.461 0.704 . . . . 74.33 111.327 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.74 -42.78 81.32 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.453 0.701 . . . . 75.43 110.564 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 66.3 18.34 10.89 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.607 1.163 . . . . 74.24 112.658 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.7 tt -77.17 128.07 33.75 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.13 0.972 . . . . 72.42 109.369 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 69.05 5.55 5.14 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.589 1.156 . . . . 75.42 111.878 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 N--CA 1.487 1.397 0 C-N-CA 123.608 0.763 . . . . 75.22 110.435 179.776 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.589 0.233 . . . . 75.15 110.729 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -79.33 -53.73 6.64 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.761 0.824 . . . . 75.43 111.045 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.9 mtt -127.26 140.62 38.4 Favored Pre-proline 0 N--CA 1.492 1.634 0 C-N-CA 124.014 0.926 . . . . 63.34 110.173 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.47 106.69 1.47 Allowed 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 122.925 2.416 . . . . 73.22 112.242 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -61.36 129.65 42.26 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.379 0.672 . . . . 75.2 112.507 -174.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -145.29 124.74 13.11 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.137 0.975 . . . . 75.42 110.276 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -158.34 142.25 15.54 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.66 0.784 . . . . 74.44 110.332 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.11 140.52 5.5 Favored Glycine 0 C--N 1.353 1.487 0 CA-C-N 116.612 -0.267 . . . . 74.11 112.951 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -98.6 138.74 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 123.957 0.903 . . . . 73.25 109.058 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -138.62 -55.19 0.62 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 122.804 0.441 . . . . 74.54 110.368 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.96 41.33 0.75 Allowed 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.206 0.527 . . . . 74.01 111.742 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -117.96 128.8 55.15 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.712 0.805 . . . . 73.32 111.414 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HE2' ' HB2' ' A' ' 53' ' ' TRP . 53.4 mttp -75.43 105.73 6.61 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.323 0.649 . . . . 75.24 110.081 175.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.4 p -70.99 163.29 27.86 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 122.298 0.239 . . . . 73.34 111.17 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -52.15 -42.37 63.32 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 113.379 0.881 . . . . 73.04 113.379 -175.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.17 -33.05 56.56 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.422 0.689 . . . . 74.03 112.534 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -68.48 -49.11 62.19 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.494 0.664 . . . . 70.12 110.388 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.67 -30.76 71.62 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 124.656 1.183 . . . . 74.24 111.17 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.91 91.83 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.585 0.754 . . . . 74.2 112.209 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.458 ' HB2' HG22 ' A' ' 43' ' ' THR . 73.2 mm-40 -61.71 -36.64 81.52 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.038 0.535 . . . . 73.04 111.576 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.535 HD21 HG21 ' A' ' 50' ' ' ILE . 56.5 mt -68.16 -37.15 80.7 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 115.734 -0.666 . . . . 54.5 111.205 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 14.2 mmtm -65.89 -44.9 83.93 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.66 0.784 . . . . 74.51 111.241 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.31 -40.64 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 C-N-CA 123.309 0.644 . . . . 73.25 110.614 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 t -63.16 -38.49 91.39 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.415 0.686 . . . . 70.31 111.527 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -68.24 -39.72 82.22 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.016 0.926 . . . . 74.43 111.772 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 96.0 mt -63.81 -32.25 73.7 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.908 0.883 . . . . 61.34 111.776 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -81.54 -53.87 5.9 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.323 0.649 . . . . 75.33 111.279 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.67 124.14 16.88 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.784 0.834 . . . . 65.54 111.786 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -82.36 -11.27 58.69 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.025 0.53 . . . . 74.15 111.401 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -124.59 71.21 57.95 Favored Pre-proline 0 CA--C 1.569 1.689 0 C-N-CA 124.362 1.065 . . . . 70.34 110.422 175.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.443 ' HB3' ' HG2' ' A' ' 35' ' ' GLU . 15.2 Cg_exo -73.15 142.28 33.9 Favored 'Trans proline' 0 C--N 1.384 2.434 0 C-N-CA 122.84 2.36 . . . . 72.44 112.819 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -72.38 165.65 24.11 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.74 0.816 . . . . 75.12 111.979 -177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.26 -36.42 77.76 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.25 0.62 . . . . 71.13 112.088 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.7 m -63.61 -38.82 92.58 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.785 0.834 . . . . 73.12 111.961 176.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.443 ' HG2' ' HB3' ' A' ' 31' ' ' PRO . 10.1 tp10 -60.74 -40.07 91.05 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.629 0.772 . . . . 73.33 111.055 174.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.429 HD12 HG22 ' A' ' 50' ' ' ILE . 27.9 mm -67.53 -36.85 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 122.825 0.45 . . . . 72.13 111.546 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.441 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 45.9 mm -55.51 -47.16 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 CA-C-O 121.511 0.672 . . . . 74.53 110.416 174.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -60.36 -49.0 79.34 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.624 -1.171 . . . . 74.42 111.333 174.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.68 -32.78 72.98 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.499 0.719 . . . . 72.03 112.585 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.441 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 69.5 mtm -66.04 -35.33 80.26 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 118.248 0.476 . . . . 73.12 111.33 177.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.69 -32.79 66.04 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.554 0.742 . . . . 75.05 112.267 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.4 mm -84.04 -46.64 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.412 0 CA-C-O 120.96 0.409 . . . . 74.13 111.165 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.458 HG22 ' HB2' ' A' ' 20' ' ' GLU . 51.4 p -79.38 -54.91 5.47 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.43 0.692 . . . . 74.45 111.529 -176.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.43 -4.52 29.68 Favored Glycine 0 N--CA 1.48 1.587 0 CA-C-N 116.215 -0.448 . . . . 65.32 112.72 -171.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.2 mt -83.34 175.02 10.18 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.41 1.084 . . . . 74.24 111.487 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.6 p -98.55 167.04 11.06 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.701 0.63 . . . . 73.31 112.701 -174.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' N ' ' SD ' ' A' ' 40' ' ' MET . 23.9 tptm -54.52 -44.69 72.99 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.428 1.091 . . . . 74.41 111.372 175.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.96 -52.39 42.35 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.188 -0.915 . . . . 74.11 113.201 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.09 -46.82 75.53 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 124.141 0.976 . . . . 74.33 113.135 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.535 HG21 HD21 ' A' ' 21' ' ' LEU . 75.5 mt -70.37 -50.8 43.39 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.284 0 C-N-CA 122.79 0.436 . . . . 73.34 112.0 -174.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -56.28 -38.31 71.02 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 123.153 0.581 . . . . 74.1 111.788 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -65.13 -40.4 94.4 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.225 1.01 . . . . 73.43 110.89 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.464 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 92.2 t90 -61.48 -45.31 94.79 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.952 0.901 . . . . 63.12 112.044 -176.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -61.02 -31.23 70.86 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.541 0.336 . . . . 71.32 111.372 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 m -67.48 -44.61 78.11 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.996 0.519 . . . . 71.04 110.86 172.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -63.8 -37.34 87.01 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.489 0.716 . . . . 65.44 111.905 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 60.2 m -77.35 -36.49 53.67 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.392 0.677 . . . . 64.33 111.432 -176.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -67.65 -33.86 75.8 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 123.211 0.604 . . . . 74.22 111.854 173.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -65.54 -50.54 64.83 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.52 0.728 . . . . 73.21 110.837 172.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -65.0 -32.75 74.63 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 114.874 -1.057 . . . . 74.13 110.975 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -67.08 -43.51 82.4 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.763 0.825 . . . . 74.2 110.466 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -58.33 -38.72 77.71 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.288 0.635 . . . . 75.4 111.383 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -74.81 99.09 3.66 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 116.281 -0.418 . . . . 71.44 110.108 173.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.2 p -66.63 138.81 57.71 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.439 0.695 . . . . 74.14 111.09 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -78.91 92.57 4.92 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.418 0.628 . . . . 73.43 110.712 -171.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.6 m -91.0 23.25 3.28 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.051 0.94 . . . . 72.34 112.179 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 57.13 79.46 0.19 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.663 1.185 . . . . 72.12 110.951 -172.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -136.97 164.02 29.34 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.304 1.041 . . . . 73.3 111.27 -173.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.6 t -75.6 127.03 32.18 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.325 0.65 . . . . 73.3 111.279 176.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.9 tt -82.39 95.52 7.67 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 108.894 -0.78 . . . . 72.54 108.894 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -149.22 83.05 1.43 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.115 0.566 . . . . 72.44 109.699 -176.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 mp -89.34 103.54 16.17 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.591 0.756 . . . . 74.42 111.507 -175.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -86.12 167.74 14.68 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.504 0.722 . . . . 72.1 110.959 173.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 CA--C 1.568 1.645 0 CA-C-O 118.442 -0.789 . . . . 71.31 111.05 176.169 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.428 0.156 . . . . 74.42 110.61 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -77.65 138.81 39.3 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.86 0.464 . . . . 74.2 110.253 174.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 61.8 mtt 56.24 67.92 2.55 Favored Pre-proline 0 CA--C 1.574 1.871 0 C-N-CA 124.215 1.006 . . . . 72.42 111.818 -169.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -82.15 87.64 1.39 Allowed 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.78 2.32 . . . . 75.12 112.858 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -75.53 -29.18 59.35 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 115.616 -0.72 . . . . 61.31 112.322 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 m -75.08 113.69 12.71 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.297 0.639 . . . . 74.14 110.672 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -100.02 -166.69 1.36 Allowed 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 123.562 0.745 . . . . 74.42 111.154 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.65 42.21 0.02 OUTLIER Glycine 0 N--CA 1.477 1.43 0 CA-C-O 121.058 0.255 . . . . 71.24 112.742 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.0 mm -80.6 82.66 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-O 121.439 0.638 . . . . 73.44 110.853 -176.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -123.48 0.39 8.83 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.974 0.91 . . . . 75.04 110.972 172.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -151.07 161.63 42.37 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.507 1.123 . . . . 72.52 110.098 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -127.28 109.89 12.27 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 121.23 0.538 . . . . 74.44 111.163 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -135.84 137.42 41.48 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.417 1.487 . . . . 75.24 108.744 170.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 p -69.71 145.39 52.35 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 109.029 -0.73 . . . . 74.21 109.029 175.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -58.95 -29.82 67.42 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.417 0.525 . . . . 71.24 112.417 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.78 -49.48 68.18 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.264 0.626 . . . . 74.55 111.547 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.32 -50.04 74.55 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.33 0.652 . . . . 70.15 111.072 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.82 -35.91 81.46 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.962 1.305 . . . . 75.14 111.041 -176.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -65.39 -45.06 85.51 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.399 0.68 . . . . 72.44 111.785 178.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -62.78 -37.11 85.38 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.802 0.441 . . . . 72.03 111.742 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 HD22 HG22 ' A' ' 50' ' ' ILE . 84.3 mt -64.49 -40.02 94.89 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 116.043 -0.526 . . . . 73.44 110.834 174.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -62.17 -41.33 98.21 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.411 0.685 . . . . 74.11 111.808 174.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 19' ' ' ALA . 77.3 t -56.72 -40.88 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 C-N-CA 123.462 0.705 . . . . 73.23 111.627 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.8 t -74.68 -38.7 62.33 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.087 0.555 . . . . 75.51 111.434 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.529 ' HH ' ' HA ' ' A' ' 58' ' ' ARG . 88.7 t80 -63.07 -43.72 97.8 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.018 0.927 . . . . 72.41 112.478 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.04 -25.25 66.96 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.699 0.8 . . . . 70.23 112.363 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -87.38 -38.36 16.25 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.95 0.5 . . . . 74.43 111.078 174.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.52 ' ND2' ' HA ' ' A' ' 31' ' ' PRO . 60.8 t30 -155.99 110.45 2.85 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.615 0.766 . . . . 72.41 109.628 -175.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -71.24 -32.71 69.1 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.778 0.831 . . . . 64.33 111.562 -169.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -120.38 87.01 39.86 Favored Pre-proline 0 CA--C 1.553 1.071 0 N-CA-C 108.253 -1.017 . . . . 75.21 108.253 172.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.52 ' HA ' ' ND2' ' A' ' 28' ' ' ASN . 41.4 Cg_endo -87.23 175.4 4.81 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.808 2.339 . . . . 75.1 114.242 -174.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -77.66 161.46 27.77 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 115.171 -0.922 . . . . 75.31 111.909 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.06 -29.85 69.98 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.013 0.525 . . . . 73.23 110.965 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.3 p -61.3 -45.23 95.32 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.155 0.982 . . . . 74.23 111.704 174.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -57.7 -48.48 79.45 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 121.351 0.596 . . . . 61.32 110.405 173.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.524 HD12 ' HG2' ' A' ' 51' ' ' LYS . 88.6 mt -65.18 -30.4 50.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 CA-C-N 114.429 -1.26 . . . . 73.2 111.932 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.402 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 78.7 mt -67.5 -48.68 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 122.703 0.401 . . . . 74.33 110.38 171.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -53.28 -41.63 65.76 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.558 0.743 . . . . 71.35 110.927 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' A' ' 36' ' ' ILE . 36.7 mt -66.51 -41.26 89.1 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.24 -0.891 . . . . 74.0 110.974 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.519 ' SD ' ' HB2' ' A' ' 47' ' ' LYS . 84.0 mtp -60.17 -35.69 75.91 Favored 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 123.128 0.571 . . . . 74.43 111.699 173.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 37' ' ' ILE . 29.7 mmmt -67.03 -46.75 73.49 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.668 0.787 . . . . 74.32 111.953 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.4 mm -84.2 -48.19 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.09 0.556 . . . . 74.14 112.033 -173.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.5 p -73.62 -35.99 65.41 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.106 0.562 . . . . 74.52 111.894 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.6 18.25 71.23 Favored Glycine 0 CA--C 1.538 1.476 0 CA-C-N 116.384 -0.371 . . . . 70.51 113.243 -173.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.6 mt -89.22 170.6 10.46 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.032 0.933 . . . . 75.51 111.536 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 p -89.79 152.73 21.15 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.534 -0.757 . . . . 65.22 109.993 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.519 ' HB2' ' SD ' ' A' ' 40' ' ' MET . 36.7 ttmt -58.36 -33.57 69.7 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 123.763 0.825 . . . . 73.11 112.486 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.19 -45.54 93.38 Favored Glycine 0 CA--C 1.535 1.317 0 CA-C-N 116.261 -0.427 . . . . 64.42 114.044 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.0 -46.39 90.98 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.497 0.719 . . . . 74.1 111.233 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.472 HG22 HD22 ' A' ' 21' ' ' LEU . 64.1 mt -65.73 -45.04 92.98 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 CA-C-N 115.124 -0.944 . . . . 75.25 112.623 -176.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.524 ' HG2' HD12 ' A' ' 36' ' ' ILE . 93.6 mttt -65.64 -42.14 91.78 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.61 0.596 . . . . 72.34 112.61 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -65.8 -36.22 82.9 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.231 0.212 . . . . 72.3 111.065 175.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -54.53 -47.07 73.59 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.585 0.754 . . . . 71.43 111.674 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -60.49 -40.79 92.6 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 112.525 0.565 . . . . 72.25 112.525 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 99.8 p -72.0 -42.38 66.49 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 112.308 0.484 . . . . 44.34 112.308 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -68.71 -35.81 77.64 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.192 0.597 . . . . 72.42 111.766 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.9 m -66.49 -43.03 86.51 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.669 0.787 . . . . 74.12 110.334 172.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.529 ' HA ' ' HH ' ' A' ' 25' ' ' TYR . 4.5 tmt_? -62.17 -34.39 76.34 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.59 0.756 . . . . 75.51 111.297 177.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -64.37 -41.37 96.74 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 123.593 0.757 . . . . 73.23 110.999 173.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -75.27 -25.69 58.2 Favored 'General case' 0 CA--C 1.561 1.373 0 C-N-CA 123.393 0.677 . . . . 64.34 111.619 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -85.5 -23.07 27.91 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.657 -0.652 . . . . 73.14 111.291 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -75.8 -45.54 35.53 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.148 0.979 . . . . 75.33 109.898 171.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -116.81 87.31 2.67 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.711 1.204 . . . . 74.55 109.297 177.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -77.67 4.32 11.78 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 114.567 1.321 . . . . 72.21 114.567 -168.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -152.89 143.49 22.71 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.172 0.589 . . . . 74.33 110.892 173.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.5 p -164.61 100.65 0.8 Allowed 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.45 0.7 . . . . 73.33 110.913 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 64.89 136.06 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 125.387 1.475 . . . . 72.44 113.541 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -159.26 -56.69 0.06 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.268 1.027 . . . . 73.33 108.912 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.487 ' HB3' HD21 ' A' ' 72' ' ' LEU . 71.4 m -82.1 84.4 7.03 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 115.468 -0.787 . . . . 75.15 110.365 174.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.7 tp -81.65 98.01 8.17 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 116.096 -0.502 . . . . 75.24 109.768 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 61.54 29.18 18.21 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 124.478 1.111 . . . . 73.12 111.253 -173.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 69' ' ' CYS . 96.7 mt 54.0 77.05 0.2 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.293 1.037 . . . . 72.42 111.173 -170.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -69.48 124.53 24.15 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.164 0.586 . . . . 74.02 110.92 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 CA--C 1.572 1.803 0 C-N-CA 123.671 0.788 . . . . 74.03 112.969 -175.252 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 120.965 0.412 . . . . 70.23 111.259 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -120.73 32.68 5.87 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.843 0.857 . . . . 74.12 109.9 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.3 mtm -73.89 136.51 76.77 Favored Pre-proline 0 CA--C 1.559 1.301 0 C-N-CA 124.057 0.943 . . . . 72.24 111.634 -174.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HG3' ' HB3' ' A' ' 15' ' ' LYS . 37.0 Cg_endo -61.46 105.47 0.35 Allowed 'Trans proline' 0 C--N 1.379 2.184 0 C-N-CA 122.999 2.466 . . . . 74.44 112.721 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -76.8 157.9 31.24 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.663 0.785 . . . . 73.2 112.67 -175.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t 68.34 156.13 0.12 Allowed 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 125.133 1.373 . . . . 74.11 113.406 173.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -97.24 118.3 33.39 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.372 0.669 . . . . 74.22 110.427 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.15 117.32 4.39 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-N 116.15 -0.477 . . . . 72.51 112.419 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.67 98.7 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.373 0 C-N-CA 123.161 0.585 . . . . 74.31 110.29 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 60.78 16.2 6.56 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 125.136 1.375 . . . . 74.42 113.823 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.39 115.77 13.16 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.074 0.55 . . . . 62.11 110.205 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' HB3' ' HZ1' ' A' ' 12' ' ' LYS . 6.6 ttpm? -79.56 70.63 6.07 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 121.788 0.804 . . . . 75.42 111.217 -176.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -139.96 99.62 3.73 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.041 1.336 . . . . 72.21 110.582 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.2 p -77.63 163.65 26.03 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 109.359 -0.608 . . . . 71.15 109.359 170.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.438 ' HB3' ' HG3' ' A' ' 4' ' ' PRO . 12.4 ptpt -65.77 -22.65 66.6 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 112.307 0.484 . . . . 74.21 112.307 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -71.34 -46.27 60.95 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.338 0.655 . . . . 73.32 110.534 171.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.9 -50.64 67.95 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.283 0.633 . . . . 73.52 111.038 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.7 mt -52.97 -47.49 68.11 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.357 1.063 . . . . 71.42 112.244 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.5 -50.52 69.71 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.39 0.676 . . . . 75.43 112.323 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.69 -32.82 68.25 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.466 0.706 . . . . 74.05 112.502 -175.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.403 HD21 HG21 ' A' ' 50' ' ' ILE . 95.2 mt -71.53 -34.42 70.02 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.892 0.477 . . . . 72.33 111.462 175.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.15 -40.14 90.34 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.003 0.521 . . . . 75.21 111.253 175.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.57 -45.26 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.293 0.637 . . . . 74.12 110.837 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.4 t -68.65 -28.33 66.79 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 115.806 -0.633 . . . . 72.22 112.139 176.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -69.48 -37.2 77.16 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.6 0.76 . . . . 74.22 111.004 176.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -69.79 -31.07 68.78 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.531 0.732 . . . . 72.53 111.618 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -79.84 -39.93 29.57 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.337 0.655 . . . . 75.34 111.247 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -160.34 103.43 1.42 Allowed 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.577 1.151 . . . . 71.01 110.923 -172.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -66.49 -28.98 69.0 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.563 0.696 . . . . 75.14 110.764 174.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -114.49 92.39 28.2 Favored Pre-proline 0 CA--C 1.557 1.225 0 C-N-CA 124.806 1.242 . . . . 70.03 108.14 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -77.57 149.49 27.08 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.031 2.487 . . . . 71.34 112.833 -174.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -89.67 -91.52 0.13 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.294 0.638 . . . . 72.11 111.388 -171.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -147.32 -57.22 0.25 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.027 0.931 . . . . 72.24 110.161 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.3 m -58.97 -42.27 89.53 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 124.067 0.947 . . . . 75.52 112.707 -173.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -58.77 -43.83 90.47 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.414 0.686 . . . . 73.24 110.982 173.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.459 HG22 ' HG3' ' A' ' 47' ' ' LYS . 10.5 mt -69.61 -33.3 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 115.316 -0.856 . . . . 74.3 110.989 -175.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.501 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 84.5 mt -60.68 -42.64 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.424 0.69 . . . . 71.44 110.758 173.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -64.97 -39.98 94.3 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 116.119 -0.491 . . . . 73.12 110.726 175.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.78 -37.57 84.83 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.287 0.635 . . . . 73.21 111.59 173.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.501 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 58.5 mtm -64.48 -34.34 77.98 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.897 0.479 . . . . 73.32 111.273 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -70.03 -42.24 73.21 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.471 0.708 . . . . 75.03 111.773 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.8 mm -81.87 -62.11 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 122.873 0.469 . . . . 75.34 111.718 -175.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.2 p -69.31 -38.5 78.28 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.524 0.73 . . . . 64.24 111.96 -176.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.98 -4.58 59.08 Favored Glycine 0 N--CA 1.478 1.45 0 CA-C-N 116.368 -0.378 . . . . 72.43 113.747 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 mt -76.97 176.12 8.91 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.267 1.027 . . . . 74.32 111.688 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.6 p -104.97 156.12 18.33 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 123.442 0.697 . . . . 75.13 110.601 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.459 ' HG3' HG22 ' A' ' 36' ' ' ILE . 36.9 ttpt -54.87 -46.4 74.73 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.949 1.092 . . . . 73.3 113.949 -171.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.48 -35.08 86.27 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 116.799 -0.182 . . . . 71.21 113.482 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -67.73 -41.32 83.64 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.958 0.903 . . . . 74.12 109.902 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.403 HG21 HD21 ' A' ' 21' ' ' LEU . 82.3 mt -63.68 -46.14 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.569 1.147 . . . . 72.33 112.109 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -64.03 -29.55 70.69 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 112.274 0.472 . . . . 72.32 112.274 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.37 -33.89 75.62 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.411 0.284 . . . . 73.15 111.433 172.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -61.98 -47.4 84.98 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.542 0.337 . . . . 74.1 110.978 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -61.58 -32.01 72.08 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.165 0.586 . . . . 75.4 111.525 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -69.53 -44.16 71.54 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.12 0.568 . . . . 71.2 111.156 174.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -68.18 -35.34 77.87 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.272 0.629 . . . . 72.3 111.979 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.0 m -71.85 -40.55 68.93 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.116 0.566 . . . . 75.44 110.632 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -71.63 -27.72 63.29 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 122.691 0.396 . . . . 71.41 111.929 174.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.74 -55.84 20.11 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.686 0.395 . . . . 63.2 110.075 168.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -72.02 -6.84 45.14 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.688 0.795 . . . . 71.35 113.069 -178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -73.25 -41.73 63.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.607 0.763 . . . . 74.45 109.555 169.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -108.2 5.9 26.21 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 113.107 0.78 . . . . 74.22 113.107 -176.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.465 HD22 ' HE3' ' A' ' 65' ' ' LYS . 9.0 t-20 -153.1 151.82 30.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 122.044 -0.41 . . . . 75.23 111.225 -175.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.4 p -164.54 -47.13 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 112.368 0.506 . . . . 73.23 112.368 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.465 ' HE3' HD22 ' A' ' 63' ' ' ASN . 1.4 mptm? 64.03 -178.06 0.16 Allowed 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 124.377 1.071 . . . . 74.12 112.466 -171.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.6 t -121.48 99.12 6.29 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.846 0.858 . . . . 70.22 110.243 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -110.0 163.26 13.74 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.711 0.804 . . . . 73.5 111.874 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -110.33 173.38 6.36 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.838 0.855 . . . . 74.51 110.831 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.5 t -67.84 97.97 0.69 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.202 0.601 . . . . 73.35 111.209 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 tt -66.97 119.35 11.8 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.586 0.754 . . . . 70.14 110.085 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -121.03 97.8 5.69 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.623 0.769 . . . . 71.42 109.744 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.0 tp -95.07 106.71 18.73 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.176 0.59 . . . . 71.23 111.058 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -157.16 158.77 36.91 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.913 0.885 . . . . 74.54 109.718 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 CA--C 1.574 1.904 0 C-N-CA 123.69 0.796 . . . . 72.33 112.991 -177.42 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 110.969 -0.011 . . . . 74.13 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -76.95 -18.49 58.21 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.21 0.604 . . . . 73.41 112.206 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.4 mtt -57.07 105.01 0.46 Allowed Pre-proline 0 N--CA 1.489 1.492 0 C-N-CA 124.291 1.036 . . . . 72.42 112.336 -173.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -93.16 -162.48 0.1 OUTLIER 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.276 2.651 . . . . 74.22 113.047 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.87 112.1 15.69 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.062 0.545 . . . . 65.21 110.463 173.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 m -68.87 -55.92 9.55 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.269 0.627 . . . . 71.41 110.375 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -125.56 121.5 33.84 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.781 0.832 . . . . 72.44 109.681 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.27 51.95 0.49 Allowed Glycine 0 N--CA 1.472 1.04 0 N-CA-C 111.878 -0.489 . . . . 62.44 111.878 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -80.07 115.39 22.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 C-N-CA 123.489 0.716 . . . . 74.54 110.141 -175.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -117.34 -67.39 1.0 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.622 0.769 . . . . 74.24 110.074 174.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 57.41 26.73 12.9 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 124.092 0.957 . . . . 73.4 112.203 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -78.94 -2.67 41.15 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 125.033 1.333 . . . . 74.3 112.627 -171.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -57.02 105.62 0.24 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.496 1.119 . . . . 74.35 112.886 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 p -82.59 172.29 13.13 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.068 0.947 . . . . 73.4 111.312 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -57.37 -44.8 84.72 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 112.901 0.704 . . . . 75.01 112.901 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -62.97 -38.0 89.37 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.284 0.634 . . . . 74.03 111.738 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -69.56 -45.89 67.68 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.48 -0.782 . . . . 75.2 111.369 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.33 -32.7 73.5 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.046 0.939 . . . . 73.23 111.978 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -48.41 78.84 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 123.173 0.589 . . . . 61.04 111.715 177.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.44 -38.23 89.26 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.257 0.623 . . . . 73.04 112.074 175.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.09 -41.24 99.35 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.198 0.599 . . . . 72.42 111.99 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.543 ' HZ2' ' HB2' ' A' ' 22' ' ' LYS . 10.0 mtmp? -67.73 -38.68 83.87 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.998 0.519 . . . . 75.34 111.958 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.8 t -58.23 -44.81 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-O 121.234 0.54 . . . . 74.34 110.587 171.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.9 t -67.61 -29.54 68.9 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.412 -0.813 . . . . 73.05 112.027 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -72.03 -39.82 68.87 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.393 0.677 . . . . 73.54 111.597 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 96.0 mt -62.82 -23.77 67.43 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.414 0.686 . . . . 74.22 112.35 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -93.78 -59.84 1.9 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.845 0.858 . . . . 71.42 110.823 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -126.34 111.12 14.14 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.949 1.299 . . . . 54.03 110.289 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -75.88 -19.03 59.17 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.043 0.537 . . . . 72.4 111.302 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -134.49 92.18 20.76 Favored Pre-proline 0 CA--C 1.569 1.686 0 C-N-CA 124.349 1.06 . . . . 73.3 109.871 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.35 150.93 37.36 Favored 'Trans proline' 0 C--N 1.381 2.262 0 C-N-CA 123.409 2.74 . . . . 75.21 113.219 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -87.02 -75.89 0.38 Allowed 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.619 0.768 . . . . 73.34 112.61 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -150.95 -58.37 0.17 Allowed 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.547 0.573 . . . . 73.42 112.547 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.4 m -61.88 -39.0 90.4 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.756 0.822 . . . . 73.01 111.992 -176.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -68.5 -35.02 76.92 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.454 0.701 . . . . 63.3 111.468 176.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.8 mt -64.13 -48.76 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 C-N-CA 122.931 0.492 . . . . 73.2 110.902 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.49 -35.01 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 123.351 0.661 . . . . 72.33 111.325 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -56.97 -52.76 63.94 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 115.807 -0.633 . . . . 63.04 110.493 172.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.14 -40.88 97.44 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.184 0.594 . . . . 73.1 111.631 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.491 ' HG3' HD12 ' A' ' 50' ' ' ILE . 49.1 mtp -54.47 -45.23 73.13 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 123.884 0.874 . . . . 74.43 112.614 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.445 ' HB2' ' HZ3' ' A' ' 41' ' ' LYS . 9.1 mtmp? -90.06 -13.87 35.02 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 113.186 0.81 . . . . 73.44 113.186 -174.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.8 mm -86.87 -56.68 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 C-N-CA 122.684 0.394 . . . . 73.51 110.253 171.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.5 p -66.17 -49.72 66.42 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.587 0.755 . . . . 64.23 111.533 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.12 24.64 5.91 Favored Glycine 0 N--CA 1.479 1.536 0 CA-C-N 116.338 -0.392 . . . . 72.52 112.825 -173.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.5 mt -101.51 171.95 7.26 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 113.614 0.968 . . . . 72.35 113.614 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.6 p -97.51 170.99 8.66 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 114.531 -1.213 . . . . 71.34 110.157 170.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -60.82 -54.51 44.24 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.411 0.685 . . . . 73.3 111.67 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.03 -33.44 64.13 Favored Glycine 0 CA--C 1.538 1.504 0 N-CA-C 114.505 0.562 . . . . 70.52 114.505 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.13 -51.68 66.92 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.388 0.675 . . . . 73.22 111.694 175.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.491 HD12 ' HG3' ' A' ' 40' ' ' MET . 67.3 mt -67.72 -48.57 75.51 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 C-N-CA 123.529 0.732 . . . . 73.32 111.737 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -51.42 -52.34 46.98 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.479 1.111 . . . . 75.45 112.209 177.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -71.93 -31.21 66.12 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.774 -0.648 . . . . 73.41 111.544 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -60.7 -49.64 76.71 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 111.832 0.308 . . . . 75.0 111.832 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -61.23 -28.63 69.29 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.924 0.49 . . . . 73.02 112.04 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.8 m -68.28 -55.84 10.72 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.144 0.578 . . . . 72.23 111.37 173.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.22 -29.16 68.74 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 112.99 0.737 . . . . 62.42 112.99 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.1 m -78.73 -32.82 46.95 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.172 0.589 . . . . 75.4 110.682 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -40.44 95.6 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-O 121.036 0.446 . . . . 74.44 109.841 171.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -64.11 -45.32 89.16 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.957 0.903 . . . . 74.24 111.327 173.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -71.62 -29.75 65.01 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.694 0.797 . . . . 71.14 111.682 -175.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -68.49 -35.39 77.45 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.279 1.032 . . . . 72.53 110.917 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -98.78 9.49 43.28 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.384 0.674 . . . . 75.23 111.876 176.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -88.89 139.57 30.32 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.523 0.729 . . . . 74.45 110.55 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.6 t -76.88 119.82 21.16 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.524 0.73 . . . . 71.51 110.874 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? 68.68 110.05 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.953 1.301 . . . . 74.22 112.115 176.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.8 t -159.19 167.74 28.31 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.038 0.935 . . . . 73.31 110.747 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -80.0 84.78 5.69 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 123.272 0.629 . . . . 73.4 111.394 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -88.04 144.55 26.45 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.89 -0.506 . . . . 75.41 111.295 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 54.1 t -86.29 85.46 7.34 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.465 0.706 . . . . 71.41 111.824 -174.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.1 mp -82.23 106.22 13.95 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.871 0.469 . . . . 75.41 111.045 176.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -77.14 90.02 3.65 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 108.709 -0.849 . . . . 74.21 108.709 166.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.571 ' H ' HD21 ' A' ' 72' ' ' LEU . 1.8 pt? -93.0 139.97 29.97 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.805 0.442 . . . . 75.44 110.93 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -135.8 99.65 4.23 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 108.513 -0.921 . . . . 72.11 108.513 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.521 HD22 HD13 ' A' ' 72' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.566 1.562 0 C-N-CA 123.92 0.888 . . . . 71.43 110.996 -176.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.3 m . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 110.721 -0.103 . . . . 73.34 110.721 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -90.4 -32.39 16.46 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.407 0.683 . . . . 74.42 110.939 173.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.528 ' HE1' ' HA ' ' A' ' 3' ' ' MET . 24.5 mmt 66.77 89.4 0.1 OUTLIER Pre-proline 0 N--CA 1.487 1.401 0 C-N-CA 125.032 1.333 . . . . 74.4 111.747 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -84.32 -177.76 3.12 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 123.238 2.625 . . . . 65.53 113.339 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 60.42 23.09 12.67 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 124.604 1.162 . . . . 75.53 112.867 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -76.79 100.0 5.33 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.322 0.649 . . . . 73.51 110.331 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -95.9 -45.85 6.78 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.724 0.81 . . . . 74.44 111.701 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.61 157.73 18.88 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 123.062 0.363 . . . . 75.01 112.804 -175.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -76.74 113.19 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 123.591 0.756 . . . . 75.43 110.638 -173.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 60.64 25.6 15.34 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 124.31 1.044 . . . . 72.04 111.55 173.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.07 100.32 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.969 1.308 . . . . 74.54 111.245 -172.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -62.59 105.5 0.65 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.552 0.741 . . . . 73.4 110.049 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -68.37 149.81 48.92 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.259 0.623 . . . . 74.52 112.526 -172.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.5 p -65.29 158.03 27.44 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.25 0.62 . . . . 73.2 111.648 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -64.39 -24.71 67.73 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.371 0.668 . . . . 72.11 111.616 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.38 -46.75 47.15 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.658 0.783 . . . . 72.33 111.22 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -61.78 -38.62 88.74 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.105 0.562 . . . . 73.34 111.124 174.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 67.6 mt -64.74 -47.97 76.28 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.495 0.718 . . . . 72.31 111.241 175.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.44 73.71 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.089 0.956 . . . . 73.15 112.833 -174.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -62.44 -42.41 99.43 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.988 0.515 . . . . 64.24 111.746 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.408 HD21 HG22 ' A' ' 50' ' ' ILE . 84.7 mt -66.7 -36.68 83.07 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.653 -0.703 . . . . 73.5 111.377 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 47.9 mtpt -72.48 -44.1 62.76 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.184 0.594 . . . . 72.45 111.977 -177.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.1 t -60.84 -43.38 95.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 122.753 0.421 . . . . 70.24 110.632 176.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.6 t -63.98 -38.51 91.35 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 115.819 -0.628 . . . . 73.53 111.204 174.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -62.85 -33.66 75.73 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.044 0.937 . . . . 75.14 112.099 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 77.6 mt -71.55 -33.25 68.96 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.59 0.356 . . . . 73.32 111.842 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -77.04 -43.39 34.7 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.26 0.553 . . . . 72.21 110.831 173.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.61 102.83 4.0 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.783 1.233 . . . . 63.52 110.201 -175.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.63 -29.4 68.71 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.632 0.73 . . . . 72.43 110.812 178.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -111.82 91.93 16.32 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 125.38 1.472 . . . . 73.5 107.754 171.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -75.53 143.45 27.45 Favored 'Trans proline' 0 C--N 1.366 1.476 0 C-N-CA 122.595 2.197 . . . . 62.54 113.074 -175.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -67.51 153.73 43.03 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.008 0.523 . . . . 71.43 109.923 173.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.431 ' O ' HG13 ' A' ' 37' ' ' ILE . 19.2 t70 -54.21 -40.91 68.08 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.093 0.557 . . . . 52.42 111.926 -177.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.8 t -63.25 -38.56 91.65 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.114 0.966 . . . . 75.33 112.31 176.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.68 -43.3 97.06 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.483 0.713 . . . . 65.34 110.757 175.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.0 mt -62.12 -36.23 73.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.796 0.839 . . . . 74.41 110.832 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.505 ' HA ' ' HE3' ' A' ' 40' ' ' MET . 85.3 mt -63.1 -46.3 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 122.857 0.463 . . . . 74.21 110.724 174.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -55.26 -43.51 74.74 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.018 0.527 . . . . 74.44 111.029 175.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.6 -35.3 77.46 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.46 -0.791 . . . . 74.33 111.576 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.505 ' HE3' ' HA ' ' A' ' 37' ' ' ILE . 65.2 mtm -67.4 -39.87 85.6 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 122.513 0.325 . . . . 74.32 111.038 171.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 37' ' ' ILE . 32.2 mmmt -65.35 -29.2 69.9 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.495 0.718 . . . . 75.44 111.721 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.4 mm -92.37 -64.61 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 C-N-CA 122.9 0.48 . . . . 73.44 111.153 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.8 p -66.14 -33.39 75.67 Favored 'General case' 0 N--CA 1.502 2.146 0 N-CA-C 113.012 0.745 . . . . 74.54 113.012 -172.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.68 -0.35 67.55 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-N 116.378 -0.374 . . . . 60.2 113.684 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.4 mt -74.83 175.96 7.53 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.953 0.901 . . . . 72.45 112.132 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -101.33 159.4 15.3 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 115.802 -0.635 . . . . 74.33 110.854 172.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.482 ' HG2' ' HE2' ' A' ' 51' ' ' LYS . 38.6 ttmt -56.23 -36.04 68.04 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.215 1.006 . . . . 72.44 112.426 -177.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.38 -54.94 32.04 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-N 115.995 -0.548 . . . . 65.04 112.906 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -56.22 -40.18 73.67 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 123.844 0.857 . . . . 75.54 112.444 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.408 HG22 HD21 ' A' ' 21' ' ' LEU . 72.6 mt -65.65 -47.88 84.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-N 115.199 -0.909 . . . . 75.41 111.731 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.482 ' HE2' ' HG2' ' A' ' 47' ' ' LYS . 55.6 mtmt -69.0 -29.83 68.11 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 112.171 0.434 . . . . 74.3 112.171 178.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -64.91 -34.49 78.53 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.234 0.614 . . . . 73.52 110.662 172.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -69.49 -49.93 50.07 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.201 -0.454 . . . . 73.01 110.291 174.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -61.35 -30.97 70.85 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.435 0.694 . . . . 72.11 111.791 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.1 t -61.92 -53.44 55.66 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.368 0.667 . . . . 72.52 110.949 175.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -63.55 -45.06 92.28 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.358 0.663 . . . . 73.24 111.665 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 27.8 m -63.98 -35.6 81.24 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.813 0.845 . . . . 64.35 111.964 -176.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -64.61 -41.75 96.0 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.274 0.63 . . . . 74.24 111.197 170.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -66.27 -37.61 85.89 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 123.443 0.697 . . . . 75.22 111.972 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -70.9 -8.1 50.47 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 112.708 0.633 . . . . 72.12 112.708 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 57' ' ' THR . 57.2 mm-40 -89.2 -21.63 23.18 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.845 0.458 . . . . 74.35 110.715 172.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -121.23 18.44 11.52 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.029 0.932 . . . . 73.52 111.989 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.59 86.87 0.32 Allowed 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.701 0.763 . . . . 72.33 112.437 -178.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.6 t -116.64 29.68 7.79 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.815 0.846 . . . . 74.31 110.415 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -54.41 126.17 22.35 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.235 1.014 . . . . 63.02 111.884 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.8 m -57.26 130.17 45.01 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.616 0.766 . . . . 72.23 112.291 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -69.32 96.2 0.84 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.264 0.626 . . . . 75.12 110.828 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -75.07 161.19 29.64 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.704 0.802 . . . . 70.21 111.448 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 67.9 m -83.6 -21.09 32.67 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.559 0.744 . . . . 62.32 111.095 174.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.1 tp 60.72 90.56 0.06 Allowed 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 125.466 1.506 . . . . 71.44 111.793 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 80.4 t60 69.08 113.43 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.797 1.639 . . . . 74.05 112.538 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.76 116.88 28.19 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.576 0.751 . . . . 74.12 109.224 176.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -134.03 127.57 32.55 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.569 0.747 . . . . 71.25 110.433 -177.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.562 1.418 0 C-N-CA 123.951 0.9 . . . . 74.44 109.11 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.296 0.093 . . . . 73.25 110.821 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -89.07 -25.5 21.88 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.062 0.545 . . . . 72.45 111.639 175.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.413 ' SD ' ' N ' ' A' ' 3' ' ' MET . 1.5 mpt? -101.51 105.09 38.36 Favored Pre-proline 0 N--CA 1.484 1.232 0 C-N-CA 123.75 0.82 . . . . 73.55 110.924 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -94.8 89.41 0.12 Allowed 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 123.399 2.733 . . . . 73.43 112.032 170.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.08 -78.88 0.09 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.275 0.63 . . . . 70.14 111.945 -176.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 m 53.46 71.88 0.47 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.757 1.223 . . . . 65.23 112.389 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -97.26 -15.29 20.88 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 112.348 0.499 . . . . 73.43 112.348 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.4 64.4 2.58 Favored Glycine 0 C--N 1.347 1.163 0 C-N-CA 122.719 0.199 . . . . 72.12 113.34 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.0 mp -79.69 91.02 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 CA-C-O 121.355 0.597 . . . . 75.25 109.601 175.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -120.35 29.0 7.7 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 124.514 1.125 . . . . 74.32 109.414 174.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.7 25.38 0.44 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.516 1.127 . . . . 75.13 113.401 -174.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.606 ' HB3' ' HZ1' ' A' ' 12' ' ' LYS . 5.7 ttpm? -74.14 88.93 1.97 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.18 0.592 . . . . 75.41 109.583 172.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.615 ' HZ2' HD23 ' A' ' 45' ' ' LEU . 61.1 mttm -103.5 146.21 28.86 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.107 0.963 . . . . 75.45 110.577 -175.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.9 p -67.3 171.12 6.22 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 112.678 0.621 . . . . 73.53 112.678 -174.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -64.82 -31.57 72.86 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.302 0.641 . . . . 73.44 111.548 -172.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 2.1 mp0 -69.14 -50.69 45.52 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.883 0.873 . . . . 73.31 109.409 179.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 76.5 mt-30 -59.31 -54.93 41.22 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.727 1.211 . . . . 72.21 112.525 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 tt -58.66 -37.9 77.0 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 124.075 0.95 . . . . 75.32 110.625 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.41 -49.46 71.44 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.286 0.634 . . . . 70.42 112.135 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 39.3 mm-40 -56.93 -40.23 75.99 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.582 0.753 . . . . 74.14 112.047 179.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 17' ' ' GLN . 85.9 mt -68.81 -40.19 79.66 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.146 -0.934 . . . . 75.13 111.255 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -65.69 -41.92 91.82 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.59 0.356 . . . . 73.34 111.833 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.421 HG11 ' HE2' ' A' ' 27' ' ' LYS . 83.2 t -59.7 -44.02 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 123.343 0.657 . . . . 72.43 110.856 177.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 t -65.68 -35.58 81.19 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.431 0.692 . . . . 75.42 111.762 175.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -68.81 -34.97 76.4 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.852 0.861 . . . . 73.13 111.708 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -74.73 -25.89 59.42 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.421 0.689 . . . . 75.12 111.722 178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HE2' HG11 ' A' ' 23' ' ' VAL . 66.4 mttm -70.65 -55.18 9.34 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.587 0.708 . . . . 71.15 109.831 169.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -151.89 122.13 7.23 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 114.601 -1.181 . . . . 74.51 109.469 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -72.97 -6.2 43.81 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 112.356 0.502 . . . . 74.41 112.356 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -122.55 93.01 48.79 Favored Pre-proline 0 CA--C 1.556 1.208 0 C-N-CA 124.767 1.227 . . . . 65.43 108.809 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -77.44 143.76 22.18 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 122.953 2.435 . . . . 73.41 113.408 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -78.33 147.43 34.22 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.519 -0.764 . . . . 54.43 110.023 173.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.403 ' O ' HG12 ' A' ' 37' ' ' ILE . 18.2 m-20 -63.77 -34.95 79.05 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 122.821 0.448 . . . . 75.4 112.055 -179.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.2 m -69.06 -35.09 76.17 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.157 0.583 . . . . 74.01 111.685 173.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -63.87 -37.13 86.25 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.313 0.578 . . . . 74.21 110.63 173.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.465 HG21 ' HG3' ' A' ' 47' ' ' LYS . 90.7 mt -66.55 -36.08 76.41 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 C-N-CA 123.74 0.816 . . . . 75.44 111.603 175.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.529 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 47.9 mm -54.69 -43.24 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 C-N-CA 123.062 0.545 . . . . 75.32 110.607 174.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -63.34 -45.18 92.43 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 123.905 0.882 . . . . 74.52 111.396 175.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.0 -38.78 89.89 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 123.409 0.684 . . . . 62.03 112.719 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.529 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 67.9 mtm -60.59 -29.97 69.53 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 123.554 0.742 . . . . 73.54 112.527 -177.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -68.3 -38.76 81.93 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.477 0.711 . . . . 74.32 111.873 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.8 mm -88.63 -35.71 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.246 0.619 . . . . 73.35 111.621 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.438 ' HB ' ' HG2' ' A' ' 17' ' ' GLN . 66.5 p -81.1 -51.43 8.47 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.025 0.53 . . . . 74.4 112.022 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.1 24.4 27.15 Favored Glycine 0 N--CA 1.474 1.224 0 CA-C-N 115.909 -0.587 . . . . 72.34 112.379 -170.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.615 HD23 ' HZ2' ' A' ' 13' ' ' LYS . 72.0 mt -98.78 164.15 12.34 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.177 0.991 . . . . 74.12 110.417 175.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.2 p -85.59 159.07 19.96 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 109.452 -0.573 . . . . 73.32 109.452 168.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HG3' HG21 ' A' ' 36' ' ' ILE . 5.4 ttpm? -59.4 -38.61 80.99 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.917 0.487 . . . . 71.31 110.952 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.43 ' O ' ' HG2' ' A' ' 52' ' ' LYS . . . -57.03 -50.53 63.48 Favored Glycine 0 CA--C 1.542 1.724 0 O-C-N 123.8 0.687 . . . . 74.13 113.738 174.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.8 -43.83 81.31 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.119 0.967 . . . . 64.52 112.503 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.87 -44.72 96.23 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-N 115.633 -0.712 . . . . 74.24 111.291 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -61.56 -34.25 75.26 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 111.834 0.309 . . . . 72.02 111.834 177.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 48' ' ' GLY . 75.0 mmtt -61.4 -51.9 66.81 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.79 0.436 . . . . 75.13 110.559 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -56.22 -48.7 75.93 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.813 0.696 . . . . 72.02 111.493 -176.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -63.46 -35.62 81.05 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.257 0.623 . . . . 75.12 112.315 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.9 m -62.32 -46.92 86.56 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 122.544 0.338 . . . . 74.0 111.141 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.74 -35.59 80.48 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.261 0.624 . . . . 63.12 112.22 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.1 m -71.77 -35.24 70.0 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 123.0 0.52 . . . . 75.54 111.162 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -57.41 -32.15 66.56 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.626 0.77 . . . . 75.25 111.266 170.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -77.75 -41.59 37.11 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 123.288 0.635 . . . . 72.22 111.816 171.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -62.22 -34.15 75.93 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 112.833 0.679 . . . . 52.24 112.833 -174.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -77.54 1.1 20.48 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.325 0.65 . . . . 74.55 112.578 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -147.99 27.89 0.95 Allowed 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 124.469 1.107 . . . . 70.14 110.029 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -58.96 106.62 0.43 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.356 1.062 . . . . 71.13 111.943 -170.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.5 m 62.05 17.0 8.69 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.55 1.14 . . . . 75.1 112.614 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -99.14 142.38 30.7 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.954 0.902 . . . . 75.51 110.36 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.3 t -85.47 -58.35 2.7 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.093 0.557 . . . . 75.3 111.828 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 63.19 -178.4 0.15 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.889 1.276 . . . . 74.23 111.926 -171.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -71.5 -48.38 49.4 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 122.012 -0.43 . . . . 51.33 110.689 174.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.2 m 60.97 93.53 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.875 1.27 . . . . 74.52 111.412 -173.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 tt -63.34 -48.1 79.42 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 108.857 -0.794 . . . . 63.45 108.857 174.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -89.17 91.89 8.97 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.398 0.679 . . . . 74.11 109.684 172.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -70.85 102.84 2.45 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.996 0.519 . . . . 74.23 110.029 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -82.9 74.94 9.83 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 109.644 -0.502 . . . . 72.2 109.644 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 p30 . . . . . 0 CA--C 1.57 1.714 0 C-N-CA 124.548 1.139 . . . . 74.23 110.676 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 120.731 0.3 . . . . 64.4 111.33 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -123.43 -30.34 3.67 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.134 0.974 . . . . 74.11 110.418 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.0 mtp 67.3 162.39 0.13 Allowed Pre-proline 0 CA--C 1.573 1.856 0 C-N-CA 124.439 1.096 . . . . 72.53 111.996 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -74.04 39.7 0.54 Allowed 'Trans proline' 0 C--N 1.385 2.47 0 C-N-CA 122.916 2.41 . . . . 74.01 114.454 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.77 72.73 4.33 Favored 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 123.829 0.852 . . . . 74.44 111.478 173.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -178.88 112.96 0.06 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.352 1.061 . . . . 74.05 110.638 173.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -139.76 129.34 24.37 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.758 0.823 . . . . 71.2 110.142 174.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.55 74.53 1.92 Allowed Glycine 0 CA--C 1.533 1.218 0 O-C-N 123.267 0.354 . . . . 71.23 113.306 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.2 mm -79.86 80.05 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.174 0 CA-C-O 121.652 0.739 . . . . 74.41 109.568 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -135.33 -70.09 0.49 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.804 0.842 . . . . 72.4 110.266 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.36 14.83 6.01 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 113.351 0.871 . . . . 74.24 113.351 -172.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -79.26 97.88 6.43 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.096 0.558 . . . . 70.2 111.483 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HZ1' ' HB2' ' A' ' 13' ' ' LYS . 4.5 ttmp? -70.95 106.55 3.69 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.12 0.968 . . . . 75.53 109.649 173.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.426 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 30.1 p -75.09 158.37 33.23 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.336 0.654 . . . . 74.51 112.61 -169.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' A' ' 18' ' ' LEU . 65.2 tttp -54.33 -32.57 56.96 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.642 1.177 . . . . 73.53 112.453 177.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -66.02 -42.57 89.47 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.218 1.007 . . . . 71.15 110.719 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -68.87 -41.18 78.73 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.436 0.694 . . . . 74.44 111.036 176.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.53 HD22 ' HE1' ' A' ' 53' ' ' TRP . 82.2 mt -57.95 -38.86 76.77 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.749 0.82 . . . . 74.13 111.497 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.04 -51.25 66.91 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 124.336 1.054 . . . . 64.21 113.474 -175.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -67.35 -34.33 77.1 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.432 0.693 . . . . 73.34 111.343 -177.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.566 HD22 HG22 ' A' ' 50' ' ' ILE . 62.0 mt -70.44 -35.93 73.64 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 114.956 -1.02 . . . . 74.25 111.233 176.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -62.28 -51.18 68.75 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.691 0.796 . . . . 73.44 110.886 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -63.45 -31.52 53.2 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.329 0 CA-C-N 115.676 -0.693 . . . . 62.44 111.214 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.1 t -68.78 -45.46 71.28 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 123.23 0.612 . . . . 62.34 111.154 172.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -62.89 -35.13 79.03 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.314 1.046 . . . . 63.23 111.667 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.6 -18.34 61.98 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.997 0.919 . . . . 74.32 112.901 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -94.89 -54.82 3.32 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.97 0.508 . . . . 73.45 109.742 166.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -155.11 144.37 21.07 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.181 0.808 . . . . 74.41 113.181 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.681 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 29.8 tt0 -71.01 -29.94 66.02 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.355 0.662 . . . . 74.54 110.604 165.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -107.5 88.71 4.35 Favored Pre-proline 0 CA--C 1.558 1.288 0 C-N-CA 124.333 1.053 . . . . 72.22 109.73 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 29' ' ' GLN . 43.4 Cg_endo -91.9 -168.56 0.24 Allowed 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 123.159 2.573 . . . . 71.34 112.698 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.453 ' O ' HG13 ' A' ' 36' ' ' ILE . 83.1 m-70 -87.05 146.34 26.13 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.148 0.579 . . . . 73.12 111.367 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.22 -53.22 60.74 Favored 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 123.761 0.824 . . . . 63.24 112.453 -172.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.2 t -62.56 -32.22 73.16 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 123.536 0.734 . . . . 72.02 112.429 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -66.36 -38.09 86.8 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 123.898 0.879 . . . . 73.21 111.45 176.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 32' ' ' HIS . 49.4 mt -68.9 -36.42 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 C-N-CA 123.135 0.574 . . . . 73.35 110.539 175.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.529 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 84.3 mt -58.47 -41.36 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 123.112 0.565 . . . . 74.03 110.809 174.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' O ' HG12 ' A' ' 42' ' ' ILE . 38.5 ttm180 -68.93 -37.63 79.02 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 116.218 -0.446 . . . . 74.43 111.266 174.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.1 mt -59.67 -34.6 73.05 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.71 0.404 . . . . 73.51 111.336 173.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.529 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 52.6 mtm -63.87 -38.28 90.5 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 122.825 0.45 . . . . 72.45 110.886 173.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -69.88 -34.97 74.27 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.657 0.783 . . . . 73.23 111.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 38' ' ' ARG . 43.7 mm -78.72 -46.22 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 123.136 0.574 . . . . 72.21 111.53 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.6 p -83.47 -47.65 11.15 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.065 0.546 . . . . 73.3 112.054 -174.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.11 7.73 43.09 Favored Glycine 0 N--CA 1.48 1.618 0 C-N-CA 123.054 0.359 . . . . 53.51 112.749 -172.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.4 mt -88.46 174.87 7.86 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.308 1.043 . . . . 74.0 111.185 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.476 ' OG1' ' HG2' ' A' ' 49' ' ' GLU . 11.8 p -96.18 170.45 9.25 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 120.887 0.375 . . . . 73.34 110.821 175.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -56.62 -41.18 76.65 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.224 1.01 . . . . 75.23 111.183 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.93 -36.83 51.49 Favored Glycine 0 CA--C 1.537 1.445 0 CA-C-N 114.784 -1.098 . . . . 64.24 114.204 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 34.5 mm-40 -63.42 -35.61 80.99 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 118.107 0.954 . . . . 74.24 112.508 -178.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.566 HG22 HD22 ' A' ' 21' ' ' LEU . 89.9 mt -68.43 -40.75 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 CA-C-N 115.506 -0.77 . . . . 74.54 111.136 178.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -70.42 -34.94 73.07 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.043 0.537 . . . . 75.4 112.07 175.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -60.19 -40.55 90.43 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.92 0.488 . . . . 74.42 110.265 171.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.53 ' HE1' HD22 ' A' ' 18' ' ' LEU . 86.1 t90 -62.75 -48.93 77.06 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 123.902 0.751 . . . . 74.44 110.717 176.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.681 ' HB3' ' HG3' ' A' ' 29' ' ' GLN . 19.4 m-85 -56.28 -49.52 74.0 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.127 0.571 . . . . 75.33 111.956 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -63.65 -43.2 97.47 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.561 0.744 . . . . 73.22 111.906 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.3 -37.87 78.0 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.938 0.895 . . . . 54.1 111.707 -177.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.433 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 87.6 m -68.03 -33.49 74.69 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.799 0.84 . . . . 62.05 111.185 178.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.431 ' HB2' HE22 ' A' ' 29' ' ' GLN . 25.6 ttt180 -60.97 -34.1 74.24 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 122.573 0.349 . . . . 74.43 110.864 176.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -64.5 -44.86 89.6 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 116.053 -0.521 . . . . 74.42 110.62 170.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -63.51 -29.19 70.5 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.081 0.552 . . . . 62.1 112.211 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 57' ' ' THR . 12.6 mm-40 -77.74 -26.34 49.9 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.063 0.545 . . . . 75.45 111.751 177.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -104.94 4.97 32.42 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.099 0.559 . . . . 74.44 111.978 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -65.62 146.5 54.75 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.039 0.936 . . . . 74.42 111.28 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.4 m -85.33 106.76 16.96 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.311 0.644 . . . . 53.02 110.581 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -78.56 94.09 4.93 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.274 0.559 . . . . 74.1 111.457 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.8 p -76.68 128.37 34.54 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 115.794 -0.639 . . . . 74.14 109.68 171.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 68.32 171.65 0.28 Allowed 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.533 1.133 . . . . 72.2 112.008 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -65.73 -47.11 76.42 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.129 0.572 . . . . 74.31 112.106 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 68.4 m 63.99 13.41 7.65 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 114.659 1.355 . . . . 64.44 114.659 172.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.6 tt -76.77 -51.93 10.5 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 109.732 -0.47 . . . . 71.12 109.732 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 69.56 119.92 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 125.287 1.435 . . . . 72.43 111.734 -177.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -66.61 156.09 36.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.879 0.871 . . . . 64.34 112.603 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -129.67 106.04 8.45 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.967 0.907 . . . . 73.3 109.659 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.97 -0.538 . . . . 74.22 112.183 -179.124 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.0 t . . . . . 0 N--CA 1.494 1.76 0 N-CA-C 111.491 0.182 . . . . 75.22 111.491 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -64.91 -43.92 91.23 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.704 0.802 . . . . 65.3 110.823 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -105.75 151.85 40.01 Favored Pre-proline 0 CA--C 1.559 1.311 0 C-N-CA 124.154 0.982 . . . . 64.0 109.851 167.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -67.2 163.67 33.32 Favored 'Trans proline' 0 C--N 1.38 2.231 0 C-N-CA 122.528 2.152 . . . . 74.24 112.503 168.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 61.66 41.55 11.99 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.519 1.127 . . . . 73.12 112.667 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 p -67.45 148.56 51.38 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 115.686 -0.688 . . . . 73.31 111.274 174.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -63.44 96.4 0.11 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.534 0.734 . . . . 73.12 112.004 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.49 -132.15 5.43 Favored Glycine 0 CA--C 1.536 1.354 0 CA-C-N 115.767 -0.651 . . . . 65.22 112.672 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.69 99.7 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.169 0 C-N-CA 123.473 0.709 . . . . 72.32 110.551 -177.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -81.99 -50.63 8.9 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 109.507 -0.553 . . . . 73.52 109.507 171.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -152.43 27.82 0.57 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.13 0.972 . . . . 72.34 110.531 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -78.15 105.85 9.65 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.234 1.014 . . . . 74.11 111.042 -175.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HB2' ' HZ3' ' A' ' 13' ' ' LYS . 8.1 mtmp? 67.58 114.79 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 125.472 1.509 . . . . 74.33 111.714 -172.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.0 p -70.56 162.39 28.94 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.785 0.834 . . . . 72.15 111.464 -176.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -64.72 -21.59 66.79 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 112.354 0.502 . . . . 74.43 112.354 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.87 -49.97 72.76 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.734 0.814 . . . . 75.43 110.43 172.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -70.48 -47.33 61.11 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.611 -1.177 . . . . 74.25 110.788 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 tt -55.52 -37.9 68.53 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 125.426 1.49 . . . . 71.32 110.875 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.89 -50.87 72.41 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.585 0.754 . . . . 71.43 111.73 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -61.74 -40.02 93.64 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.165 0.586 . . . . 75.54 111.674 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.9 mt -67.46 -36.44 81.15 Favored 'General case' 0 CA--C 1.555 1.169 0 CA-C-N 115.26 -0.882 . . . . 63.11 111.258 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -68.11 -43.5 78.29 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 123.559 0.744 . . . . 64.11 111.673 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.1 t -58.47 -40.99 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.166 0.587 . . . . 72.33 110.846 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.8 t -72.58 -32.66 66.18 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.175 0.59 . . . . 73.55 111.992 176.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -69.38 -40.67 77.27 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 123.928 0.891 . . . . 75.22 111.994 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.0 -23.74 64.13 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.697 0.799 . . . . 75.34 111.684 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -79.41 -49.73 11.89 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.388 0.675 . . . . 73.13 110.473 171.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -159.97 118.1 2.67 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.24 1.016 . . . . 63.12 109.945 -171.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -70.31 -29.74 66.55 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.797 0.839 . . . . 74.25 111.911 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -116.28 82.54 11.83 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 124.319 1.047 . . . . 75.34 109.314 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -72.55 141.38 34.54 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 122.535 2.157 . . . . 74.13 112.574 -175.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -66.81 154.16 41.57 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.64 -0.709 . . . . 71.5 110.258 172.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.539 ' O ' HG12 ' A' ' 37' ' ' ILE . 7.6 m-20 -55.32 -33.69 63.54 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.06 0.763 . . . . 73.41 113.06 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.8 m -56.92 -45.98 82.32 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.679 0.791 . . . . 74.44 111.855 175.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -66.07 -37.6 86.21 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.329 0.652 . . . . 71.32 111.061 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.419 ' O ' ' HG3' ' A' ' 40' ' ' MET . 79.1 mt -68.82 -35.25 68.67 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 C-N-CA 123.182 0.593 . . . . 72.23 112.092 -178.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 33' ' ' ASP . 42.5 mm -61.36 -44.76 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 CA-C-O 121.558 0.694 . . . . 74.31 109.572 173.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -59.9 -40.72 89.72 Favored 'General case' 0 CA--C 1.559 1.316 0 CA-C-N 114.334 -1.303 . . . . 75.44 111.676 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.7 -37.7 82.65 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.334 0.654 . . . . 73.21 111.424 176.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.446 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 56.7 mtm -62.72 -32.37 73.48 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 122.926 0.49 . . . . 60.34 111.546 177.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -63.44 -35.7 81.28 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.626 0.77 . . . . 64.12 112.349 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.51 -50.59 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 123.027 0.531 . . . . 75.3 111.643 -173.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.8 p -70.81 -38.77 73.32 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.64 0.776 . . . . 72.21 111.986 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.23 -3.37 86.75 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-N 116.65 -0.25 . . . . 74.32 112.937 -173.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . 94.3 mt -74.97 166.98 22.8 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.001 0.921 . . . . 70.52 111.143 176.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.4 p -90.18 166.24 13.49 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.615 0.366 . . . . 74.42 110.128 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -54.97 -35.98 64.87 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 123.556 0.743 . . . . 75.24 111.912 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.01 -44.24 89.06 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 115.376 -0.829 . . . . 74.53 113.36 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 30.3 mm-40 -64.79 -36.82 85.55 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.183 0.593 . . . . 73.21 111.294 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.6 mt -70.94 -55.62 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 115.311 -0.859 . . . . 74.53 111.509 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -58.52 -34.44 70.97 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 118.288 0.494 . . . . 74.41 111.857 176.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.9 -45.82 92.07 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.448 0.468 . . . . 71.44 110.873 175.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -59.96 -48.63 80.92 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.527 0.331 . . . . 71.44 111.282 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -62.59 -38.14 88.97 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 122.998 0.519 . . . . 73.02 112.197 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.8 p -71.18 -38.72 72.12 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.662 0.385 . . . . 74.12 111.588 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.91 -28.12 68.05 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.046 0.538 . . . . 72.24 111.995 173.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.6 m -84.41 -27.74 27.4 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.986 0.514 . . . . 74.44 110.719 176.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -60.44 -36.65 78.71 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.219 0.533 . . . . 72.04 109.999 166.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -70.93 -48.14 55.18 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.031 -0.986 . . . . 74.12 111.205 171.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -58.67 -45.78 88.64 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 123.766 0.826 . . . . 70.11 112.452 -172.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -65.86 -42.91 89.8 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.178 0.591 . . . . 75.04 112.032 -177.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -75.64 -26.36 57.66 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 120.725 0.297 . . . . 73.52 111.369 178.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.47 84.64 7.13 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.716 0.77 . . . . 72.41 109.567 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.0 m -139.19 112.21 7.98 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.13 -0.941 . . . . 75.24 108.863 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.77 120.83 13.21 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.28 0.632 . . . . 65.53 110.243 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.2 t -78.31 78.34 4.78 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.46 0.648 . . . . 74.24 112.05 -173.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -90.35 156.38 18.29 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.584 0.753 . . . . 73.31 109.757 170.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -72.89 82.69 1.2 Allowed 'General case' 0 CA--C 1.558 1.271 0 CA-C-O 122.115 0.96 . . . . 72.53 110.697 -177.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.6 t -90.61 -91.24 0.14 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.467 0.707 . . . . 74.21 111.217 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.3 mp -126.03 163.03 23.94 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.884 0.874 . . . . 73.11 110.689 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -96.63 -12.19 24.25 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.811 0.844 . . . . 73.02 110.68 170.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.3 tt -78.83 138.33 38.12 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.318 1.047 . . . . 62.21 110.866 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -149.32 144.85 26.71 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.074 0.949 . . . . 75.25 109.921 173.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 . . . . . 0 N--CA 1.487 1.391 0 C-N-CA 123.221 0.608 . . . . 71.35 111.732 -175.009 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.0 m . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.807 0.336 . . . . 72.32 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -72.34 110.31 6.67 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 122.812 0.445 . . . . 75.23 110.252 172.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 53.8 ttp -98.22 112.96 63.35 Favored Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 123.165 0.586 . . . . 64.12 110.489 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -89.01 41.8 0.58 Allowed 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 123.219 2.613 . . . . 73.51 113.116 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -69.53 -52.49 25.87 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.365 0.666 . . . . 65.4 111.892 -174.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.3 p -132.84 11.93 4.35 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.777 0.831 . . . . 65.32 110.888 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -107.98 0.67 22.01 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.449 0.699 . . . . 75.23 112.387 -168.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.91 66.61 3.73 Favored Glycine 0 N--CA 1.477 1.428 0 CA-C-O 120.997 0.221 . . . . 62.11 112.582 176.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.6 mt -86.65 126.43 40.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 123.923 0.889 . . . . 71.35 111.206 -174.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -74.31 79.91 1.85 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.885 0.874 . . . . 75.05 110.472 175.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.34 77.08 8.24 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.134 0.574 . . . . 65.53 111.731 -174.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -108.83 -24.96 11.03 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.349 0.659 . . . . 65.01 111.497 173.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -60.78 103.73 0.29 Allowed 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 123.347 0.659 . . . . 74.44 112.418 -176.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 19.6 p -74.76 173.5 10.45 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.963 0.905 . . . . 72.44 111.417 -179.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -73.54 -24.11 60.08 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.897 0.479 . . . . 65.35 111.466 174.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.61 -43.95 75.33 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.615 0.721 . . . . 74.42 110.296 174.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -69.57 -45.33 68.94 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 114.966 -1.015 . . . . 75.32 110.799 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.481 HD23 ' HE2' ' A' ' 22' ' ' LYS . 1.3 tt -62.06 -33.9 75.26 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.946 1.298 . . . . 74.15 110.982 -178.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.67 -50.6 73.24 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.691 0.796 . . . . 50.52 111.923 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -65.47 -38.15 88.95 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 116.041 -0.527 . . . . 75.21 111.586 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.476 HD23 HD13 ' A' ' 39' ' ' LEU . 92.8 mt -64.01 -38.73 92.16 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-N 115.672 -0.694 . . . . 73.1 111.631 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.481 ' HE2' HD23 ' A' ' 18' ' ' LEU . 63.0 mttm -61.69 -47.73 83.98 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.355 0.662 . . . . 74.42 111.192 174.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -56.63 -45.31 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.369 0.668 . . . . 72.13 110.905 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.553 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 25.9 t -68.85 -31.22 70.02 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.608 0.763 . . . . 75.34 112.05 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -67.65 -31.86 72.15 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.063 0.945 . . . . 74.3 111.004 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 79.4 mt -65.81 -34.98 79.41 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.377 0.671 . . . . 74.44 111.601 174.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.553 ' HD3' ' HA ' ' A' ' 24' ' ' SER . 0.6 OUTLIER -65.97 -58.88 4.53 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 109.376 -0.602 . . . . 75.01 109.376 170.03 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -174.56 142.19 0.72 Allowed 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 114.826 -1.079 . . . . 63.01 110.967 -175.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -73.54 -26.92 61.07 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 121.391 0.615 . . . . 70.14 111.655 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -114.69 79.91 6.01 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 123.045 0.538 . . . . 72.44 109.646 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HB2' HG13 ' A' ' 36' ' ' ILE . 16.8 Cg_exo -69.39 162.29 42.47 Favored 'Trans proline' 0 C--N 1.385 2.48 0 C-N-CA 122.873 2.382 . . . . 74.32 114.047 -176.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -73.74 -77.34 0.11 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.506 0.723 . . . . 64.3 111.453 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -158.25 -58.16 0.07 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.898 0.479 . . . . 73.32 111.39 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 t -61.9 -30.07 70.63 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.584 0.754 . . . . 65.03 112.178 -177.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.58 -44.72 93.23 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.864 0.866 . . . . 71.35 110.956 174.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.572 HG21 ' HG3' ' A' ' 47' ' ' LYS . 63.7 mt -67.1 -47.39 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 C-N-CA 123.332 0.653 . . . . 70.13 111.073 177.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.9 mt -65.33 -31.89 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.854 0.861 . . . . 75.51 111.324 -177.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -57.71 -46.94 83.71 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.674 0.79 . . . . 75.53 110.464 171.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.476 HD13 HD23 ' A' ' 21' ' ' LEU . 45.3 mt -65.51 -41.26 93.37 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.503 -0.771 . . . . 74.43 111.203 176.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.2 mtp -57.96 -32.98 68.36 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 123.495 0.718 . . . . 70.23 111.927 178.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.22 -30.62 38.62 Favored 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 113.11 0.782 . . . . 70.4 113.11 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.4 mm -97.34 -57.69 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 122.105 -0.372 . . . . 75.24 111.942 -176.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 p -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.268 0.627 . . . . 73.3 111.668 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.17 0.07 80.92 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-N 116.127 -0.488 . . . . 72.24 113.298 -175.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.8 mt -75.86 154.55 36.02 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.616 0.766 . . . . 64.53 111.102 173.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.3 p -79.4 162.1 25.74 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.954 -0.566 . . . . 74.2 110.426 175.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.572 ' HG3' HG21 ' A' ' 36' ' ' ILE . 40.7 ttmt -56.3 -34.91 66.94 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.279 0.632 . . . . 72.23 111.847 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.06 -43.35 95.88 Favored Glycine 0 CA--C 1.537 1.447 0 CA-C-N 116.001 -0.545 . . . . 23.21 113.757 176.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -62.08 -45.69 92.38 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.77 0.828 . . . . 65.34 112.127 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.418 HD11 ' HB2' ' A' ' 39' ' ' LEU . 95.9 mt -62.51 -52.83 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.168 0 C-N-CA 123.962 0.905 . . . . 75.14 111.913 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -56.75 -38.26 72.16 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.516 0.726 . . . . 73.31 112.252 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.54 -48.36 77.83 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.996 -0.547 . . . . 72.52 111.076 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -56.62 -48.47 77.42 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.926 0.766 . . . . 74.31 111.163 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -55.56 -44.96 77.31 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 124.081 0.863 . . . . 72.42 112.114 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.3 t -64.28 -37.75 88.58 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.865 0.466 . . . . 74.11 111.684 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -75.83 -26.51 57.27 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.984 0.735 . . . . 74.33 112.984 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 m -56.14 -42.87 77.61 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.248 0.833 . . . . 73.23 113.248 -171.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -59.44 -33.57 71.44 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 112.478 0.547 . . . . 72.41 112.478 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -65.27 -46.04 82.05 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 120.887 0.375 . . . . 72.4 110.37 172.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.467 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.7 OUTLIER -68.54 -20.45 64.55 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.255 0.622 . . . . 74.53 111.212 179.169 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.97 26.28 4.76 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 125.087 1.355 . . . . 72.53 109.679 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -156.41 -16.88 0.1 Allowed 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 123.484 0.714 . . . . 74.02 111.478 173.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -73.88 166.74 22.8 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.321 1.048 . . . . 65.32 110.546 175.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.5 m -55.55 96.28 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.771 0.828 . . . . 75.44 111.864 177.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -62.78 150.9 40.22 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.361 1.064 . . . . 74.33 111.104 -176.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.5 m 71.14 64.67 0.16 Allowed 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.057 1.343 . . . . 73.22 109.477 -166.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -80.36 73.23 7.24 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.485 1.114 . . . . 71.31 111.796 -173.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -127.45 153.12 46.68 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.957 0.903 . . . . 73.24 109.764 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.7 t 62.14 72.92 0.48 Allowed 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 124.319 1.048 . . . . 75.55 110.753 -174.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.5 tt -78.3 149.31 33.53 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.877 0.871 . . . . 72.42 111.394 -173.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -49.59 101.99 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 125.047 1.339 . . . . 73.31 112.816 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -103.92 161.04 14.3 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.857 0.863 . . . . 75.4 111.648 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -85.48 173.02 10.54 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.981 0.913 . . . . 53.34 111.48 175.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 t30 . . . . . 0 CA--C 1.573 1.846 0 C-N-CA 124.95 1.3 . . . . 71.01 112.007 -179.421 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 111.809 0.3 . . . . 74.21 111.809 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 64.67 99.46 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.201 1.001 . . . . 75.31 110.759 -170.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 80.0 mtp 70.05 153.62 0.14 Allowed Pre-proline 0 N--CA 1.496 1.829 0 C-N-CA 125.419 1.488 . . . . 75.35 112.225 -172.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -47.9 124.04 9.41 Favored 'Trans proline' 0 C--N 1.392 2.816 0 C-N-CA 123.442 2.761 . . . . 65.41 113.496 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -63.94 123.73 19.74 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.69 0.796 . . . . 72.11 112.703 -172.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 t -84.3 80.9 9.05 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.55 0.74 . . . . 74.42 109.861 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -68.61 118.12 11.21 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.83 0.852 . . . . 71.44 111.507 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.07 -162.92 48.81 Favored Glycine 0 CA--C 1.536 1.38 0 CA-C-N 115.702 -0.681 . . . . 74.22 113.146 -173.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -83.41 82.32 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 CA-C-O 121.798 0.809 . . . . 73.22 109.077 175.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -113.63 -39.8 3.96 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.099 0.96 . . . . 75.52 109.755 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.18 164.49 12.65 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.52 0.728 . . . . 75.11 111.252 174.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -98.06 -177.6 3.79 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 123.984 0.914 . . . . 75.21 111.037 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 60.8 mttp -63.55 110.92 2.14 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.298 0.481 . . . . 71.33 112.298 -174.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.8 p -74.17 165.2 25.57 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.906 0.483 . . . . 75.41 109.843 170.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -68.9 -21.96 64.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 122.083 -0.385 . . . . 74.4 111.08 174.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.27 -39.35 86.06 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.09 0.556 . . . . 73.12 110.948 173.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 13' ' ' LYS . 94.9 mt-30 -76.57 -52.94 8.76 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.667 0.746 . . . . 75.14 111.672 176.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.99 -39.36 83.26 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 124.612 1.165 . . . . 75.21 112.179 -169.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.34 -32.66 74.14 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 112.726 0.639 . . . . 63.45 112.726 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -67.32 -38.58 85.15 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.865 0.466 . . . . 73.23 111.514 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.57 -35.95 75.84 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 115.989 -0.55 . . . . 74.3 111.046 173.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.489 ' HA ' ' HH2' ' A' ' 53' ' ' TRP . 7.1 tmtt? -67.73 -52.69 34.59 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.417 1.087 . . . . 73.42 110.849 -173.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.609 HG11 ' HE2' ' A' ' 27' ' ' LYS . 62.3 t -67.54 -35.55 73.52 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 123.593 0.757 . . . . 75.15 110.942 178.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.9 t -63.55 -34.66 78.29 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 122.978 0.511 . . . . 74.22 111.602 174.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.411 ' OH ' ' HA ' ' A' ' 58' ' ' ARG . 64.9 t80 -68.49 -42.64 78.34 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.345 0.658 . . . . 63.33 111.374 175.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.44 -27.66 67.68 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.459 0.704 . . . . 73.13 111.734 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.609 ' HE2' HG11 ' A' ' 23' ' ' VAL . 64.4 mttm -85.5 -39.95 16.89 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.656 0.782 . . . . 64.55 111.55 174.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -159.13 129.21 5.73 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.528 0.731 . . . . 72.44 111.248 -174.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.29 -28.35 31.8 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.905 0.882 . . . . 74.31 111.704 -175.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -131.5 86.74 48.71 Favored Pre-proline 0 N--CA 1.486 1.361 0 C-N-CA 123.469 0.708 . . . . 64.32 110.679 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -77.91 162.51 29.33 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.812 2.341 . . . . 72.44 112.782 175.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -69.92 147.58 50.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.264 0.626 . . . . 74.11 110.893 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -60.24 -35.98 76.69 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.24 0.616 . . . . 63.24 112.64 -177.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m -73.93 -34.14 64.21 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.153 0.581 . . . . 62.31 111.446 176.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.55 -31.96 72.4 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.037 0.935 . . . . 73.23 111.151 173.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -66.92 -33.18 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.793 0.837 . . . . 75.42 111.402 174.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.413 ' HA ' ' SD ' ' A' ' 40' ' ' MET . 65.9 mt -59.49 -35.66 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 122.839 0.456 . . . . 75.23 111.25 176.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -61.43 -48.63 80.32 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.19 0.596 . . . . 74.31 110.895 171.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.59 -29.82 70.28 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.251 0.62 . . . . 74.14 112.277 175.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 37' ' ' ILE . 76.7 mtp -70.51 -36.76 73.94 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.878 0.871 . . . . 73.1 110.961 176.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -78.41 -10.7 59.8 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.413 0.685 . . . . 72.35 112.225 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.1 mm -91.73 -49.3 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.294 0.638 . . . . 74.22 110.53 170.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.8 p -76.73 -58.63 3.17 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.486 0.714 . . . . 65.32 111.73 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.55 1.87 32.79 Favored Glycine 0 N--CA 1.476 1.322 0 CA-C-N 116.061 -0.518 . . . . 71.14 112.313 -169.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 74.5 mt -88.03 178.22 6.72 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.434 1.094 . . . . 73.24 111.124 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.5 p -93.02 169.07 10.7 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.938 0.495 . . . . 72.2 111.08 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -66.93 -33.23 75.12 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.279 0.632 . . . . 74.41 110.666 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.04 -37.29 87.34 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-N 115.562 -0.745 . . . . 75.3 113.196 175.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -57.18 -49.47 75.88 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.853 0.861 . . . . 72.31 111.235 173.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.3 mt -73.87 -46.05 47.72 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.449 0 C-N-CA 123.603 0.761 . . . . 74.32 112.638 -174.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -54.28 -45.58 72.5 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 123.17 0.588 . . . . 75.01 111.433 173.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -65.54 -43.55 89.63 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.994 0.918 . . . . 74.41 111.514 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.489 ' HH2' ' HA ' ' A' ' 22' ' ' LYS . 78.5 t90 -60.65 -49.99 75.29 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.462 0.705 . . . . 75.55 111.88 -174.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -59.79 -34.98 73.75 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.551 0.741 . . . . 74.32 112.023 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.8 m -71.65 -42.8 67.11 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.119 0.568 . . . . 73.04 112.164 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -72.66 -30.94 64.7 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 112.493 0.553 . . . . 75.44 112.493 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.8 m -72.33 -37.09 68.98 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.672 0.789 . . . . 73.14 110.174 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.411 ' HA ' ' OH ' ' A' ' 25' ' ' TYR . 50.2 ttt85 -63.2 -37.99 89.39 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.376 1.07 . . . . 75.43 111.328 172.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.729 ' HA ' ' HB2' ' A' ' 63' ' ' ASN . 65.1 t80 -67.54 -41.95 83.48 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.988 0.915 . . . . 74.42 111.456 173.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -66.79 -41.73 87.14 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.02 0.928 . . . . 74.35 111.641 -172.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -69.12 -44.81 71.63 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 112.839 0.681 . . . . 61.35 112.839 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.59 -55.09 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 113.705 1.002 . . . . 74.35 113.705 -178.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.729 ' HB2' ' HA ' ' A' ' 59' ' ' TYR . 65.8 t30 61.5 -175.84 0.13 Allowed 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 123.754 0.822 . . . . 75.42 111.147 -172.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.1 t -142.93 -53.9 0.4 Allowed 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.331 -0.856 . . . . 71.3 110.854 171.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -165.17 -40.32 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 112.627 0.603 . . . . 72.13 112.627 177.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.0 m -118.33 -6.53 10.79 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.603 0.761 . . . . 75.4 112.665 -172.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 60.33 19.64 9.18 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 124.553 1.141 . . . . 75.32 112.39 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 54.87 84.53 0.07 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 124.796 1.238 . . . . 75.24 111.946 -169.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 28.9 p -77.36 -14.02 59.81 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 115.988 -0.551 . . . . 74.35 110.857 171.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.9 mt -76.9 137.79 39.34 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.002 0.921 . . . . 73.32 112.689 -178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -117.79 131.8 56.53 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.114 0.966 . . . . 72.24 109.158 170.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.12 136.44 57.95 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 109.072 -0.714 . . . . 74.35 109.072 173.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -58.21 90.93 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.632 0.773 . . . . 71.32 112.234 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 CA--C 1.57 1.745 0 C-N-CA 123.768 0.827 . . . . 74.42 111.028 178.268 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.5 p . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 119.484 -0.293 . . . . 74.02 111.111 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.9 -36.26 67.47 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.985 0.514 . . . . 71.41 111.496 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.71 -49.81 64.84 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.936 0.494 . . . . 63.34 111.901 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -62.89 -41.5 99.44 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.674 0.749 . . . . 65.54 111.368 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 tt -70.07 -33.67 72.2 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 125.335 1.454 . . . . 63.41 110.808 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.82 -33.2 70.44 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.257 0.623 . . . . 72.12 112.487 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -65.28 -37.61 87.69 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.198 0.523 . . . . 65.2 110.702 173.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.38 -38.03 89.55 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 115.518 -0.765 . . . . 71.45 110.887 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 94.3 mttt -60.66 -43.54 97.52 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 122.73 0.412 . . . . 71.34 111.828 174.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.94 -41.51 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 123.142 0.577 . . . . 74.11 111.215 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.45 ' HB3' ' HZ ' ' A' ' 54' ' ' PHE . 38.7 t -66.79 -35.66 80.59 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.522 -0.763 . . . . 74.15 112.094 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -72.07 -38.05 69.52 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 122.737 0.415 . . . . 73.45 111.358 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 87.3 mt -67.06 -38.09 85.18 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.616 0.766 . . . . 72.25 112.027 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HG3' ' ND2' ' A' ' 28' ' ' ASN . 19.8 ptpt -76.11 -39.53 54.98 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.367 0.267 . . . . 73.52 111.377 177.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.451 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 5.3 p30 -159.56 124.98 4.16 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.538 0.735 . . . . 50.54 110.967 174.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -73.15 -14.18 61.32 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.775 0.83 . . . . 64.11 112.537 -173.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -120.66 89.85 45.36 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 124.446 1.099 . . . . 62.14 108.574 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.451 ' HA ' ' OD1' ' A' ' 28' ' ' ASN . 21.3 Cg_exo -65.05 137.04 50.79 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.241 2.627 . . . . 73.34 114.339 -171.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -73.31 149.4 42.7 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.214 0.606 . . . . 74.21 109.95 171.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.38 -40.83 78.99 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.509 0.723 . . . . 63.42 112.629 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.0 m -63.37 -36.9 85.23 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.368 0.667 . . . . 50.35 112.172 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 13.2 tp10 -67.89 -38.66 83.29 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.231 0.612 . . . . 61.41 110.855 175.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.507 HG21 ' HG3' ' A' ' 47' ' ' LYS . 93.3 mt -64.11 -41.7 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.794 0.837 . . . . 60.04 111.661 176.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.45 -40.13 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 122.625 0.37 . . . . 74.34 110.539 174.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -61.14 -38.31 85.94 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.221 0.608 . . . . 70.21 111.794 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 84.4 mt -63.93 -43.85 94.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.939 0.496 . . . . 71.1 110.658 173.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 82.6 mtp -58.04 -33.61 69.18 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 123.835 0.854 . . . . 74.51 111.893 175.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -69.65 -52.63 24.11 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.499 0.72 . . . . 75.24 112.16 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.6 mm -70.07 -49.42 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.24 0.616 . . . . 73.45 111.776 -174.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.1 p -81.78 -38.19 26.0 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.521 0.728 . . . . 63.04 112.317 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.77 13.58 56.48 Favored Glycine 0 CA--C 1.537 1.413 0 CA-C-N 116.224 -0.444 . . . . 44.34 113.164 -172.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.3 mt -84.9 177.33 8.0 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.737 0.815 . . . . 63.23 112.768 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.9 p -101.54 153.06 20.06 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 114.949 -1.023 . . . . 74.13 110.008 173.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.507 ' HG3' HG21 ' A' ' 36' ' ' ILE . 37.2 ttmt -60.18 -24.77 65.04 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 123.653 0.781 . . . . 74.21 112.001 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.88 -47.61 53.9 Favored Glycine 0 C--N 1.353 1.487 0 CA-C-N 116.34 -0.391 . . . . 50.25 114.009 174.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -61.84 -35.46 78.33 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 123.148 0.579 . . . . 62.41 111.924 176.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.484 HG21 HG23 ' A' ' 36' ' ' ILE . 79.9 mt -68.97 -53.47 25.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 CA-C-N 115.217 -0.902 . . . . 74.13 111.221 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -57.45 -37.16 72.39 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.299 0.639 . . . . 64.52 112.095 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.25 -52.61 64.94 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.791 0.682 . . . . 71.51 110.707 173.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -59.56 -46.92 87.49 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.794 0.838 . . . . 73.05 112.685 -174.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.45 ' HZ ' ' HB3' ' A' ' 24' ' ' SER . 67.9 m-85 -64.74 -29.2 70.17 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 112.818 0.673 . . . . 73.14 112.818 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.5 m -68.63 -38.07 80.24 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 120.809 0.338 . . . . 72.22 110.674 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -67.04 -41.81 85.9 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.179 0.591 . . . . 61.33 111.132 174.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.5 m -73.34 -27.77 61.69 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.026 0.93 . . . . 73.32 111.822 -176.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.164 0 C-N-CA 122.633 0.373 . . . . 64.32 110.585 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 p . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 119.822 -0.132 . . . . 55.15 111.163 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -65.28 -35.67 81.74 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.145 0.429 . . . . 54.12 111.899 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -72.23 -37.68 69.11 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.642 0.777 . . . . 74.2 111.532 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -70.39 -42.96 71.02 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.28 0.632 . . . . 70.23 111.023 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.8 -34.88 79.4 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.908 1.283 . . . . 72.43 110.569 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.11 90.43 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.668 0.787 . . . . 60.1 112.397 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -67.05 -40.69 87.17 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.003 0.521 . . . . 73.44 111.485 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.438 HD22 HG23 ' A' ' 50' ' ' ILE . 63.7 mt -66.69 -33.03 74.75 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.146 -0.934 . . . . 45.52 111.012 176.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.434 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 5.5 tmtt? -67.7 -49.9 60.33 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.213 1.005 . . . . 64.42 109.929 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.64 -38.93 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.699 0.8 . . . . 71.14 111.289 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.5 t -69.66 -26.26 64.3 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 115.751 -0.659 . . . . 51.24 111.737 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.451 ' HB2' ' HZ3' ' A' ' 53' ' ' TRP . 66.4 t80 -76.87 -34.43 57.8 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.551 0.74 . . . . 72.34 110.994 174.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 95.2 mt -65.29 -42.71 92.86 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.655 0.782 . . . . 72.41 111.496 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -70.28 -35.79 73.96 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 122.296 0.239 . . . . 75.33 111.327 176.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -167.43 128.24 1.49 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.565 0.746 . . . . 73.42 110.804 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -68.77 -25.66 64.83 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.114 0.566 . . . . 74.44 112.204 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -124.23 73.31 58.14 Favored Pre-proline 0 CA--C 1.559 1.294 0 C-N-CA 123.716 0.807 . . . . 74.54 109.873 177.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -72.97 151.97 51.06 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.225 1.95 . . . . 74.34 111.96 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -65.32 153.4 41.26 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.673 0.389 . . . . 74.24 111.034 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -66.08 -17.69 64.86 Favored 'General case' 0 CA--C 1.564 1.511 0 N-CA-C 112.653 0.612 . . . . 75.1 112.653 -173.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.1 m -67.31 -35.29 79.14 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.516 0.727 . . . . 73.32 111.631 172.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.64 -42.91 90.92 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.046 0.538 . . . . 73.12 110.031 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -58.65 -37.84 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 124.251 1.021 . . . . 75.35 112.184 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.456 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 36.7 mm -54.65 -50.34 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 C-N-CA 123.319 0.648 . . . . 60.44 111.126 173.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -66.24 -40.72 90.41 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.425 -0.807 . . . . 72.12 111.273 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.57 -37.55 86.64 Favored 'General case' 0 C--O 1.21 -1.017 0 C-N-CA 123.467 0.707 . . . . 72.22 111.353 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.456 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 68.4 mtm -61.85 -32.89 73.26 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 118.657 0.662 . . . . 61.34 111.872 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -73.49 -41.74 62.74 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.061 0.545 . . . . 75.22 111.595 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.8 mm -78.14 -45.14 27.3 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 C-N-CA 122.994 0.518 . . . . 75.45 111.563 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.9 p -77.44 -52.44 9.1 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.597 0.759 . . . . 62.3 111.452 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.42 -3.99 37.42 Favored Glycine 0 CA--C 1.538 1.496 0 CA-C-N 116.142 -0.481 . . . . 71.32 113.091 -171.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -75.5 173.96 10.29 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.848 0.859 . . . . 74.22 111.737 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.9 p -102.36 175.78 5.4 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.41 0.684 . . . . 75.45 112.235 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -55.49 -52.08 64.84 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 125.143 1.377 . . . . 64.35 112.356 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.46 -35.53 55.9 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-N 115.336 -0.847 . . . . 44.43 114.039 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -53.77 -53.03 57.94 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.65 0.78 . . . . 71.42 111.993 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.438 HG23 HD22 ' A' ' 21' ' ' LEU . 48.8 mt -64.53 -42.0 93.92 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 CA-C-N 115.625 -0.716 . . . . 74.42 111.956 -177.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -59.63 -42.03 91.81 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 111.763 0.282 . . . . 63.54 111.763 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -63.52 -31.91 73.21 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.443 0.697 . . . . 71.45 112.221 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.451 ' HZ3' ' HB2' ' A' ' 25' ' ' TYR . 77.3 t90 -68.6 -50.95 47.61 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 117.9 0.318 . . . . 64.12 110.704 177.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 74.4 m-85 -66.45 -36.18 82.14 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 122.654 0.382 . . . . 73.12 111.825 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 t -67.07 -49.89 63.61 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.087 0.555 . . . . 75.25 111.489 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -75.89 -45.97 32.58 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.113 -0.494 . . . . 54.11 112.082 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.7 m -59.08 -35.15 72.88 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.67 0.788 . . . . 74.23 111.548 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 2.6 tmm_? . . . . . 0 CA--C 1.557 1.228 0 C-N-CA 123.717 0.807 . . . . 72.2 110.742 174.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.6 p . . . . . 0 N--CA 1.486 1.35 0 N-CA-C 112.069 0.396 . . . . 73.53 112.069 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -63.07 -50.59 69.98 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.93 0.715 . . . . 70.24 112.93 -169.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 1.2 pm0 -62.21 -27.37 68.93 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 112.576 0.584 . . . . 64.43 112.576 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -66.87 -50.74 61.53 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.212 0.53 . . . . 65.45 110.887 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.469 HD22 ' HE1' ' A' ' 53' ' ' TRP . 92.8 mt -63.95 -30.88 71.92 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 115.672 -0.695 . . . . 70.42 112.084 177.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.43 -47.21 82.83 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.951 0.9 . . . . 61.44 111.995 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.528 ' HG3' HG22 ' A' ' 42' ' ' ILE . 18.7 mm-40 -63.85 -38.74 92.21 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.062 0.545 . . . . 75.12 111.268 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.47 HD11 HD12 ' A' ' 45' ' ' LEU . 98.5 mt -64.57 -37.21 86.78 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 115.227 -0.897 . . . . 70.35 111.538 176.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -72.86 -34.2 66.59 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 112.732 0.642 . . . . 74.31 112.732 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.3 -42.52 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-O 121.273 0.559 . . . . 71.42 110.112 172.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 t -64.24 -37.32 87.07 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 115.26 -0.882 . . . . 73.33 111.447 173.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.449 ' OH ' ' HA ' ' A' ' 58' ' ' ARG . 85.2 t80 -69.19 -47.93 63.53 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.613 0.765 . . . . 74.31 112.534 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.38 -34.1 76.06 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.079 0.552 . . . . 72.43 111.517 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -74.73 -47.87 28.95 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 123.709 0.804 . . . . 61.0 111.015 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -146.59 105.37 3.84 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.666 1.186 . . . . 72.04 110.664 -174.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -71.15 -24.08 62.19 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.279 0.632 . . . . 73.15 110.791 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -126.86 92.29 44.97 Favored Pre-proline 0 CA--C 1.564 1.514 0 C-N-CA 124.5 1.12 . . . . 74.33 109.429 178.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -87.96 169.73 6.37 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 123.197 2.598 . . . . 62.54 114.327 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -82.98 169.23 16.21 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.808 0.843 . . . . 71.34 111.535 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.87 -45.79 90.91 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.53 0.732 . . . . 73.11 112.059 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.0 t -62.34 -32.2 72.94 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.918 0.887 . . . . 41.32 112.353 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -62.26 -47.93 82.16 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.102 0.561 . . . . 62.22 110.864 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.458 ' O ' ' HG3' ' A' ' 40' ' ' MET . 66.2 mt -63.39 -38.01 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 CA-C-N 115.105 -0.952 . . . . 75.23 111.534 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.8 -46.24 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 123.138 0.575 . . . . 73.51 111.315 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.407 ' O ' HG12 ' A' ' 42' ' ' ILE . 54.9 ttt180 -58.76 -49.52 77.35 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.709 -0.678 . . . . 73.15 110.91 173.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.54 -31.15 67.67 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.683 0.793 . . . . 71.43 112.569 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 52.7 mtm -62.82 -40.7 98.2 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 120.878 0.37 . . . . 74.12 111.267 175.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -77.23 -32.29 55.69 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.337 0.655 . . . . 72.4 112.249 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.528 HG22 ' HG3' ' A' ' 20' ' ' GLU . 45.6 mm -76.56 -39.25 32.51 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.134 0 C-N-CA 122.957 0.503 . . . . 72.01 110.732 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.7 p -90.65 -61.62 1.63 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.644 0.378 . . . . 74.13 111.333 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.66 -3.91 8.66 Favored Glycine 0 N--CA 1.481 1.639 0 C-N-CA 123.309 0.48 . . . . 45.11 112.744 -172.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.47 HD12 HD11 ' A' ' 21' ' ' LEU . 85.5 mt -85.43 172.58 10.92 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.843 0.857 . . . . 72.24 112.089 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.7 p -96.57 163.58 12.97 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.498 0.719 . . . . 75.21 111.024 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -57.98 -40.36 80.47 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.793 0.837 . . . . 60.44 112.164 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.19 -42.05 99.72 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-N 116.487 -0.324 . . . . 71.14 113.457 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -65.23 -41.36 94.48 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.232 0.613 . . . . 72.25 111.819 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.2 mt -74.03 -43.28 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.234 0.613 . . . . 73.41 112.005 -174.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -60.31 -45.1 94.57 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 122.662 0.385 . . . . 43.14 111.03 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -62.1 -39.97 94.28 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.695 -0.684 . . . . 53.11 111.101 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.469 ' HE1' HD22 ' A' ' 18' ' ' LEU . 85.9 t90 -57.98 -48.19 80.75 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 122.734 0.414 . . . . 74.45 111.134 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 52.9 m-85 -59.34 -31.01 68.8 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 122.99 0.516 . . . . 75.45 112.114 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 t -70.26 -53.72 15.72 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.407 0.683 . . . . 20.53 111.718 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.82 -35.87 81.9 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.849 0.86 . . . . 71.02 112.69 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.9 m -75.16 -27.75 59.84 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.523 0.729 . . . . 63.23 110.88 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 C-N-CA 123.065 0.546 . . . . 63.54 110.116 170.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.0 p . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 110.073 -0.343 . . . . 62.45 110.073 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -62.4 -36.21 81.61 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.412 0.285 . . . . 74.03 110.279 174.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.05 -50.15 71.78 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.683 0.793 . . . . 53.51 112.082 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 92.8 mt-30 -66.07 -46.64 76.99 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.539 0.736 . . . . 64.23 111.457 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.95 -33.73 76.48 Favored 'General case' 0 CA--C 1.563 1.453 0 C-N-CA 124.573 1.149 . . . . 72.24 111.128 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -66.59 -40.84 89.09 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.467 0.707 . . . . 71.33 112.551 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -65.49 -35.72 81.74 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 121.223 0.535 . . . . 64.51 111.566 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.535 HD22 HG23 ' A' ' 50' ' ' ILE . 71.7 mt -64.46 -34.84 79.14 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 115.59 -0.732 . . . . 64.44 110.995 174.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -67.82 -39.9 83.86 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.258 0.623 . . . . 72.51 111.991 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 19' ' ' ALA . 94.0 t -57.39 -35.0 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 122.918 0.487 . . . . 73.2 111.331 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.7 t -74.74 -50.03 18.9 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.816 0.446 . . . . 72.33 111.757 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' HB2' ' HZ3' ' A' ' 53' ' ' TRP . 57.1 t80 -59.39 -36.54 76.01 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.526 1.13 . . . . 75.35 112.973 -173.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.18 -17.5 61.93 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.635 0.774 . . . . 72.3 113.034 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -89.07 -57.32 2.94 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 109.504 -0.554 . . . . 65.55 109.504 166.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -145.97 137.69 25.02 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.297 0.639 . . . . 72.23 110.348 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -72.12 -34.64 68.73 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.813 0.445 . . . . 73.33 110.932 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.558 ' HE1' ' HD3' ' A' ' 58' ' ' ARG . 89.1 m-85 -131.94 87.33 44.93 Favored Pre-proline 0 CA--C 1.558 1.281 0 C-N-CA 123.701 0.8 . . . . 75.54 110.336 177.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -80.29 -174.69 2.36 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 123.186 2.591 . . . . 75.34 113.107 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -68.18 157.71 34.81 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.672 0.389 . . . . 74.3 111.418 174.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.446 ' O ' HG13 ' A' ' 37' ' ' ILE . 9.4 p-10 -63.1 -28.06 69.81 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 112.427 0.529 . . . . 75.11 112.427 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.2 p -63.57 -39.09 93.5 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.639 0.776 . . . . 71.5 112.302 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -65.45 -36.19 83.17 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.766 0.826 . . . . 71.21 110.75 176.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -68.79 -33.89 61.79 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 CA-C-N 115.041 -0.982 . . . . 71.02 111.213 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 33' ' ' ASP . 84.3 mt -67.42 -35.45 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 123.063 0.545 . . . . 73.22 110.851 174.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -57.06 -45.93 82.86 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 122.917 0.487 . . . . 63.54 110.538 170.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.442 ' HB2' HD13 ' A' ' 50' ' ' ILE . 64.7 mt -63.84 -38.45 91.15 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 115.737 -0.665 . . . . 75.04 111.261 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.6 mtp -62.13 -35.9 80.16 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 123.596 0.758 . . . . 63.33 111.97 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -72.16 -23.12 61.24 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.503 0.721 . . . . 72.04 112.864 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.9 mm -100.7 -38.18 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 122.635 0.374 . . . . 63.34 111.579 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.1 p -85.65 -29.77 23.76 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.604 0.762 . . . . 73.4 111.751 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.46 8.44 87.76 Favored Glycine 0 CA--C 1.541 1.706 0 CA-C-N 116.525 -0.307 . . . . 73.14 113.536 -173.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -90.68 -175.25 4.35 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.939 0.896 . . . . 71.04 111.149 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.8 p -109.04 172.5 6.81 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.555 0.342 . . . . 74.42 110.166 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -54.76 -34.43 62.56 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.552 0.741 . . . . 72.42 111.558 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.21 -47.8 89.07 Favored Glycine 0 CA--C 1.539 1.573 0 N-CA-C 114.932 0.733 . . . . 41.24 114.932 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -66.58 -35.22 79.69 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 117.429 0.615 . . . . 75.1 111.639 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.535 HG23 HD22 ' A' ' 21' ' ' LEU . 69.0 mt -74.17 -42.46 51.48 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 CA-C-N 115.457 -0.792 . . . . 74.33 111.74 -177.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -66.34 -41.31 89.77 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.42 0.688 . . . . 74.45 111.263 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -57.91 -41.05 81.86 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.355 0.662 . . . . 62.35 111.106 172.55 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.422 ' HZ3' ' HB2' ' A' ' 25' ' ' TYR . 80.1 t90 -65.28 -48.25 73.81 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.281 -0.418 . . . . 64.44 111.102 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -56.13 -43.01 77.81 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.163 0.585 . . . . 74.02 111.97 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -68.6 -51.21 44.97 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.53 0.732 . . . . 62.31 112.13 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.54 -27.33 67.67 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.629 0.771 . . . . 64.5 112.754 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.6 m -72.38 -28.31 62.93 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 122.768 0.427 . . . . 74.33 111.289 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.558 ' HD3' ' HE1' ' A' ' 30' ' ' PHE . 56.2 mtm180 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.915 -0.491 . . . . 74.44 110.776 170.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.7 p . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 110.466 -0.198 . . . . 60.12 110.466 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.69 -30.75 70.12 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.14 0.576 . . . . 62.11 111.494 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.53 -49.77 61.79 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.032 0.933 . . . . 70.23 110.406 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -63.72 -40.67 97.33 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.706 0.803 . . . . 74.33 111.915 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.37 -37.77 86.04 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.504 1.122 . . . . 71.43 110.954 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.59 84.2 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.276 0.63 . . . . 75.42 112.345 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -62.04 -41.43 98.11 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.321 0.582 . . . . 73.22 110.841 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.68 -34.59 75.94 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 115.11 -0.95 . . . . 74.34 111.433 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -67.8 -43.82 78.8 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.343 0.657 . . . . 71.2 112.232 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.15 -38.58 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 122.617 0.367 . . . . 75.32 110.786 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.9 t -65.12 -35.98 82.82 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.113 0.565 . . . . 72.1 111.414 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -68.42 -41.13 80.82 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.53 0.732 . . . . 73.13 111.666 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.1 -37.67 83.59 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.437 0.695 . . . . 71.13 111.707 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -74.68 -41.59 59.98 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.888 0.475 . . . . 75.22 111.771 175.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -159.65 126.83 4.62 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 122.673 0.389 . . . . 72.22 111.339 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -73.64 -19.54 60.82 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.28 0.632 . . . . 74.12 112.289 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -117.59 80.89 13.86 Favored Pre-proline 0 CA--C 1.558 1.279 0 C-N-CA 123.872 0.869 . . . . 73.42 110.793 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.94 131.99 20.62 Favored 'Trans proline' 0 C--N 1.374 1.919 0 C-N-CA 122.096 1.864 . . . . 53.12 111.545 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -70.99 142.46 50.97 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.968 0.507 . . . . 73.35 110.496 177.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.22 -27.11 43.83 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.996 1.11 . . . . 75.21 113.996 -174.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.3 p -65.58 -48.71 71.43 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.473 0.709 . . . . 72.01 111.318 171.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 38' ' ' ARG . 43.4 tt0 -67.52 -26.03 66.13 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.098 0.959 . . . . 72.15 111.971 175.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.627 HD13 ' HG2' ' A' ' 51' ' ' LYS . 93.1 mt -69.71 -33.98 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 122.81 0.444 . . . . 72.54 110.518 175.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.12 -35.21 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 122.513 0.325 . . . . 63.53 110.501 171.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.428 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 56.3 ttt85 -59.28 -50.98 71.9 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 122.725 0.41 . . . . 65.01 110.462 170.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.32 -25.53 68.08 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.496 0.718 . . . . 75.34 112.383 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 86.5 mtp -70.57 -32.95 70.55 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.042 0.537 . . . . 61.2 110.906 174.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -81.04 -24.35 37.94 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.274 0.629 . . . . 71.31 112.029 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.0 mm -83.75 -57.6 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.385 0.674 . . . . 71.31 111.095 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -80.77 -34.07 34.48 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 112.514 0.561 . . . . 72.52 112.514 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.91 12.87 78.97 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 116.869 -0.151 . . . . 73.24 113.364 -174.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.7 mt -88.92 164.24 15.23 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.558 0.743 . . . . 73.55 110.515 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.5 p -79.01 161.87 26.32 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.643 0.377 . . . . 62.0 111.111 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -55.47 -41.72 73.36 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.231 0.612 . . . . 74.12 111.18 172.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.91 -37.64 94.94 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 116.057 -0.52 . . . . 53.24 113.743 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -71.92 -44.15 64.12 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 117.167 0.484 . . . . 72.12 111.701 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.3 mt -65.1 -52.27 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 123.27 0.628 . . . . 71.11 111.792 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.627 ' HG2' HD13 ' A' ' 36' ' ' ILE . 35.8 mtpt -62.12 -42.51 99.31 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 112.22 0.452 . . . . 62.23 112.22 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -66.49 -31.89 72.91 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 123.076 0.55 . . . . 71.31 110.956 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -62.57 -49.88 73.51 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.949 0.5 . . . . 74.51 110.138 172.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -64.55 -34.63 78.68 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.334 0.654 . . . . 72.45 111.586 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 m -67.58 -39.68 84.87 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.323 0.649 . . . . 74.54 111.103 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.26 -47.26 74.28 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.833 0.453 . . . . 73.54 110.73 175.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.2 m -63.75 -33.01 74.71 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 123.561 0.744 . . . . 73.3 111.171 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 . . . . . 0 N--CA 1.49 1.561 0 C-N-CA 123.588 0.755 . . . . 72.34 111.786 170.887 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 110.696 -0.113 . . . . 61.03 110.696 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.14 -25.87 65.83 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.881 0.472 . . . . 71.14 111.654 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -58.24 -50.69 72.68 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.45 1.1 . . . . 63.44 110.876 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 93.0 mt-30 -69.02 -50.41 48.96 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 114.618 -1.174 . . . . 74.13 110.944 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HG ' ' HE1' ' A' ' 53' ' ' TRP . 4.8 tt -59.12 -38.79 80.46 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 125.648 1.579 . . . . 71.24 111.719 -173.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.33 -38.7 78.32 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.41 0.684 . . . . 72.43 112.363 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -66.81 -34.14 77.16 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.042 0.449 . . . . 74.53 111.679 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.578 HD22 HG23 ' A' ' 50' ' ' ILE . 74.7 mt -66.07 -36.75 84.05 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.747 -0.66 . . . . 74.43 110.819 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 97.1 mttt -62.07 -38.08 87.44 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.153 0.581 . . . . 63.12 112.078 175.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.8 -42.63 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 123.066 0.546 . . . . 64.44 110.945 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.3 t -67.98 -38.09 82.29 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 115.707 -0.679 . . . . 71.15 111.584 175.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -64.03 -38.76 92.26 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.511 0.724 . . . . 75.31 111.933 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 98.1 mt -62.18 -27.36 68.91 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.48 0.712 . . . . 71.34 111.575 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -80.09 -50.57 10.15 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-O 121.349 0.595 . . . . 74.24 110.05 172.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.46 135.74 3.06 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 114.733 -1.122 . . . . 43.44 111.639 -170.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.404 ' NE2' ' HB2' ' A' ' 58' ' ' ARG . 64.2 tt0 -73.24 -31.88 64.39 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.884 0.85 . . . . 70.32 110.191 172.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -117.07 87.47 23.08 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.197 0.999 . . . . 71.41 108.804 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.59 178.09 5.45 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.859 2.373 . . . . 74.4 113.278 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -62.68 -79.35 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.793 0.837 . . . . 65.2 111.196 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -179.73 -52.15 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.579 1.152 . . . . 74.42 108.155 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.1 p -58.74 -40.72 84.62 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.701 1.201 . . . . 51.12 112.806 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.26 -41.0 83.32 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.4 0.68 . . . . 71.12 111.156 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.444 HG21 ' HG3' ' A' ' 47' ' ' LYS . 33.8 mt -70.85 -37.94 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 123.399 0.68 . . . . 75.12 111.099 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.5 mt -62.5 -41.52 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 C-N-CA 123.424 0.69 . . . . 71.52 110.967 175.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -58.39 -46.73 85.82 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.001 0.92 . . . . 70.44 110.761 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.4 -37.99 82.58 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.501 0.72 . . . . 71.24 111.744 175.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 49.4 mtm -59.83 -42.11 92.83 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-O 121.07 0.462 . . . . 70.43 111.515 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.03 -36.84 67.02 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 115.42 -0.809 . . . . 72.33 112.23 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.6 mm -74.2 -57.1 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 123.122 0.569 . . . . 64.0 111.41 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.0 p -76.91 -43.66 34.7 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.576 0.75 . . . . 71.45 112.422 -173.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.11 -2.9 37.94 Favored Glycine 0 N--CA 1.481 1.695 0 CA-C-N 116.446 -0.343 . . . . 73.12 113.163 -174.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 mt -80.9 162.29 24.0 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.943 0.897 . . . . 42.45 111.395 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.6 p -88.95 160.74 17.0 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 122.65 0.38 . . . . 74.24 110.549 173.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HG3' HG21 ' A' ' 36' ' ' ILE . 38.0 ttmt -55.99 -39.7 72.23 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.763 0.825 . . . . 73.51 111.461 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.61 -43.4 98.99 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 115.836 -0.62 . . . . 65.24 113.664 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.45 -39.28 91.86 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.694 0.798 . . . . 72.45 112.567 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.578 HG23 HD22 ' A' ' 21' ' ' LEU . 92.7 mt -67.85 -47.91 77.51 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.07 0 C-N-CA 123.708 0.803 . . . . 74.13 111.192 -178.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.525 ' HA ' ' HD2' ' A' ' 54' ' ' PHE . 7.3 mtpm? -70.27 -29.04 65.71 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.108 0.563 . . . . 73.24 111.699 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -63.89 -43.49 95.84 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.774 0.83 . . . . 62.35 110.665 171.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.406 ' HE1' ' HG ' ' A' ' 18' ' ' LEU . 89.5 t90 -61.36 -43.79 98.28 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 114.795 -1.093 . . . . 71.24 111.643 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.525 ' HD2' ' HA ' ' A' ' 51' ' ' LYS . 39.0 m-85 -55.34 -34.73 64.49 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 123.509 0.724 . . . . 62.45 112.781 -178.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.3 m -61.88 -48.34 80.94 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.688 0.795 . . . . 63.1 111.806 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -71.34 -29.21 64.72 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.316 0.646 . . . . 75.42 112.007 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.3 m -67.73 -31.71 71.82 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 113.1 0.778 . . . . 73.11 113.1 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.404 ' HB2' ' NE2' ' A' ' 29' ' ' GLN . 19.0 ttt180 . . . . . 0 CA--C 1.551 0.991 0 CA-C-N 118.649 0.658 . . . . 74.13 111.214 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 111.74 0.274 . . . . 74.13 111.74 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -51.17 -47.58 62.12 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.516 1.126 . . . . 50.43 112.241 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -66.32 -45.97 78.46 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.225 0.61 . . . . 63.0 112.355 -174.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -60.33 -50.38 73.84 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.432 0.693 . . . . 53.42 112.094 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.76 -38.54 89.36 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.357 0.663 . . . . 61.4 110.451 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.87 89.72 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.485 0.714 . . . . 44.22 112.35 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -64.83 -33.19 75.4 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 111.91 0.337 . . . . 63.0 111.91 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.82 -38.74 80.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.052 0.541 . . . . 75.42 111.22 173.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -62.77 -45.08 94.34 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.291 0.636 . . . . 75.24 111.227 175.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.05 -41.93 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 123.424 0.69 . . . . 74.02 110.654 174.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -66.59 -27.97 68.14 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 116.042 -0.526 . . . . 71.15 112.108 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -72.96 -34.98 66.85 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.475 0.71 . . . . 74.44 110.776 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.56 -39.9 84.94 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.248 0.619 . . . . 62.21 110.77 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -65.71 -56.79 10.19 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.204 1.002 . . . . 70.4 111.614 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -153.01 125.37 8.12 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.211 1.005 . . . . 74.43 109.898 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -74.43 -20.41 60.05 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.62 0.768 . . . . 74.44 111.664 -172.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -136.18 81.58 37.82 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.629 0.771 . . . . 62.42 109.795 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.99 133.27 30.55 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.675 2.25 . . . . 74.24 111.787 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -68.73 -70.95 0.24 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.53 0.732 . . . . 64.23 111.606 -172.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.457 ' O ' HG12 ' A' ' 37' ' ' ILE . 1.1 p30 -159.32 -43.23 0.05 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.637 0.775 . . . . 73.12 111.522 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.4 t -58.52 -43.43 89.14 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 123.598 0.759 . . . . 72.25 112.571 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.24 -38.18 89.56 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 121.224 0.535 . . . . 75.13 110.551 175.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.526 HG21 ' HD2' ' A' ' 47' ' ' LYS . 54.2 mt -68.91 -31.43 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 C-N-CA 123.55 0.74 . . . . 74.42 111.402 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 33' ' ' ASP . 46.7 mm -57.81 -46.2 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 123.239 0.616 . . . . 74.45 110.161 175.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -56.99 -58.55 7.66 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.239 -0.891 . . . . 72.21 110.686 170.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.2 mt -55.53 -36.72 67.06 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.933 0.893 . . . . 71.13 113.071 -174.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 74.5 mtm -69.01 -40.68 78.54 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.873 0.469 . . . . 73.32 111.888 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -79.94 -25.93 40.26 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.771 0.428 . . . . 71.22 111.92 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.6 mm -81.74 -56.31 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 C-N-CA 123.534 0.733 . . . . 61.53 111.257 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.8 p -83.14 -38.79 21.92 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.806 0.443 . . . . 74.24 112.079 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.34 -22.68 28.52 Favored Glycine 0 N--CA 1.477 1.37 0 CA-C-N 116.127 -0.488 . . . . 41.13 112.572 -172.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.31 136.56 49.89 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.011 0.924 . . . . 74.03 111.581 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.6 p -82.94 177.54 8.58 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.941 1.089 . . . . 75.02 113.941 -170.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.526 ' HD2' HG21 ' A' ' 36' ' ' ILE . 24.4 tptm -54.86 -55.85 25.92 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.655 1.182 . . . . 74.2 112.604 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.13 -33.33 84.99 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-N 116.103 -0.498 . . . . 45.11 113.687 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -61.16 -47.61 85.38 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 124.133 0.973 . . . . 72.35 111.552 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.7 mt -68.83 -49.19 66.06 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 124.175 0.99 . . . . 70.13 111.273 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -55.9 -34.05 65.2 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.519 0.728 . . . . 64.23 112.476 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -65.03 -50.17 67.31 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.756 0.822 . . . . 75.41 110.25 174.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -57.42 -48.3 79.48 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.863 0.865 . . . . 75.31 112.632 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -61.81 -29.2 70.0 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.469 0.708 . . . . 75.34 112.779 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.4 m -66.48 -48.09 71.0 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 122.818 0.447 . . . . 63.52 111.279 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -71.97 -29.1 63.9 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.414 0.686 . . . . 73.41 112.046 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.0 m -73.61 -37.66 65.34 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.2 0.6 . . . . 64.33 111.036 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 . . . . . 0 N--CA 1.481 1.084 0 C-N-CA 122.81 0.444 . . . . 73.24 110.779 170.412 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 111.88 0.326 . . . . 55.1 111.88 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -56.39 -61.07 2.66 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 124.13 0.972 . . . . 74.25 113.031 -169.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -26.53 46.65 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 112.24 0.459 . . . . 71.32 112.24 -175.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -66.66 -47.35 72.79 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.392 0.677 . . . . 72.12 111.125 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.53 HD22 ' HE3' ' A' ' 22' ' ' LYS . 3.0 tt -63.12 -38.03 89.57 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.434 1.094 . . . . 65.11 109.917 175.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.78 88.63 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.586 0.754 . . . . 71.32 112.451 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -69.49 -32.74 71.79 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.689 0.396 . . . . 72.34 112.04 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.99 -32.69 74.09 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.8 0.44 . . . . 73.43 110.976 173.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.53 ' HE3' HD22 ' A' ' 18' ' ' LEU . 99.0 mttt -64.22 -51.08 65.42 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.178 0.591 . . . . 71.01 110.998 174.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.9 t -59.24 -37.56 69.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 123.496 0.718 . . . . 73.5 110.821 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.9 t -69.26 -38.56 78.49 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.663 -0.699 . . . . 64.13 111.364 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CD1' ' HB3' ' A' ' 29' ' ' GLN . 89.3 t80 -61.89 -44.37 96.93 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.003 0.921 . . . . 64.5 111.406 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.27 -46.76 85.45 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.024 0.929 . . . . 61.33 112.486 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -79.95 -36.89 35.54 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.385 0.513 . . . . 73.33 112.385 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -164.85 100.44 0.78 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.971 0.509 . . . . 70.13 111.805 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 25' ' ' TYR . 5.8 pt20 -80.9 -3.14 50.36 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.707 0.632 . . . . 75.12 112.707 175.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -128.09 76.55 77.68 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 123.299 0.64 . . . . 73.24 110.989 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.65 149.64 21.1 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 122.562 2.175 . . . . 62.11 112.464 172.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -79.99 -71.32 0.46 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.278 0.631 . . . . 74.51 111.559 -173.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -155.4 -54.95 0.09 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.946 0.498 . . . . 75.21 109.917 -177.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.8 m -59.28 -46.12 89.39 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.886 0.874 . . . . 65.34 112.594 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.45 -30.76 71.79 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.665 0.786 . . . . 72.4 111.398 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.56 HG21 ' HG3' ' A' ' 47' ' ' LYS . 17.9 mt -72.64 -43.39 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.802 178.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.9 mt -65.39 -33.96 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 123.113 0.565 . . . . 74.11 110.879 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' O ' HG12 ' A' ' 42' ' ' ILE . 21.5 tpt180 -52.55 -55.63 20.84 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.436 0.694 . . . . 73.14 109.923 167.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -56.43 -43.1 79.09 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.757 0.823 . . . . 62.11 112.145 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mtp -60.86 -38.1 84.42 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.629 0.772 . . . . 71.33 112.138 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -86.19 -19.33 30.21 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 112.585 0.587 . . . . 74.22 112.585 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 38' ' ' ARG . 37.8 mm -78.4 -45.41 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 CA-C-O 121.544 0.688 . . . . 60.55 110.484 171.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.4 p -94.45 -55.26 3.22 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.038 0.935 . . . . 72.22 111.936 -170.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.65 22.87 6.17 Favored Glycine 0 N--CA 1.481 1.66 0 C-N-CA 123.091 0.377 . . . . 74.42 112.513 -172.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.8 mt -99.08 175.98 5.72 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.163 0.985 . . . . 62.31 111.886 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.6 p -102.1 155.55 18.12 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 116.031 -0.531 . . . . 73.12 110.771 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HG3' HG21 ' A' ' 36' ' ' ILE . 35.3 ttpt -58.92 -32.33 69.46 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.87 0.868 . . . . 75.32 112.701 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.51 -52.84 35.96 Favored Glycine 0 CA--C 1.54 1.628 0 CA-C-N 116.134 -0.484 . . . . 61.41 113.566 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.02 -33.78 75.0 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 123.622 0.769 . . . . 64.44 112.492 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.46 -46.02 84.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.178 0 C-N-CA 123.286 0.634 . . . . 72.22 111.357 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.75 -40.92 98.77 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 120.795 0.331 . . . . 74.43 111.753 175.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.5 -33.22 75.42 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.314 0.646 . . . . 75.31 111.595 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -64.28 -48.06 77.14 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.476 0.485 . . . . 74.5 110.334 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -60.53 -40.02 89.95 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.946 0.499 . . . . 70.23 111.56 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 t -64.35 -40.98 96.94 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.389 0.676 . . . . 74.45 111.791 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.21 -48.96 66.3 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.35 0.66 . . . . 52.42 111.013 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.5 m -59.14 -41.5 88.45 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.749 0.82 . . . . 41.34 111.104 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 . . . . . 0 N--CA 1.485 1.295 0 C-N-CA 123.626 0.77 . . . . 72.04 111.863 173.111 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.8 p . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.766 -0.457 . . . . 72.23 109.766 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -64.45 -36.28 83.65 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.655 0.613 . . . . 74.01 112.655 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.99 -35.84 64.47 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 112.551 0.574 . . . . 62.24 112.551 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -65.65 -47.35 75.86 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-O 121.197 0.522 . . . . 61.22 110.477 171.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.75 ' HG ' ' HE1' ' A' ' 53' ' ' TRP . 5.1 tt -56.83 -38.68 72.97 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.531 1.532 . . . . 73.45 110.881 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.27 -45.5 93.1 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.285 1.034 . . . . 65.22 112.697 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -67.17 -35.67 80.16 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.37 0.668 . . . . 74.53 112.036 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.532 HD22 HG23 ' A' ' 50' ' ' ILE . 56.8 mt -69.38 -34.96 75.32 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.402 -0.817 . . . . 70.45 111.245 176.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -58.85 -41.67 87.51 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.683 0.793 . . . . 62.01 111.4 174.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.3 t -55.65 -38.64 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 123.623 0.769 . . . . 65.1 111.599 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 t -72.46 -46.45 54.87 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.103 0.561 . . . . 41.15 111.629 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -59.78 -39.69 85.75 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.183 0.993 . . . . 74.33 112.395 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.42 -31.96 73.39 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.613 0.765 . . . . 73.12 112.013 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -75.41 -47.77 25.88 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.031 0.533 . . . . 71.2 110.245 171.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -171.83 142.12 1.48 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.759 0.823 . . . . 71.52 110.807 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.546 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 62.6 tt0 -65.94 -25.99 67.38 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.366 0.667 . . . . 64.45 111.704 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -117.19 80.36 11.96 Favored Pre-proline 0 CA--C 1.563 1.478 0 C-N-CA 123.685 0.794 . . . . 64.33 110.215 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -82.33 -175.65 2.6 Favored 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 122.759 2.306 . . . . 72.31 113.813 -172.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -60.81 154.25 22.4 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.082 0.553 . . . . 63.11 112.33 172.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.46 -48.41 81.24 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.585 0.754 . . . . 74.54 110.289 174.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.4 m -63.17 -28.85 70.33 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.109 -0.951 . . . . 65.34 112.501 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.16 -47.87 75.51 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.275 0.63 . . . . 72.12 111.193 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.488 HD13 ' HD3' ' A' ' 51' ' ' LYS . 25.0 mt -60.5 -40.42 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 123.317 0.647 . . . . 62.21 110.674 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.413 HG22 ' HE2' ' A' ' 41' ' ' LYS . 75.5 mt -64.45 -40.07 87.77 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 C-N-CA 123.665 0.786 . . . . 62.12 111.559 175.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -61.79 -42.03 98.48 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.537 0.735 . . . . 63.54 109.885 176.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.62 -34.6 78.6 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.539 0.736 . . . . 74.5 111.561 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.3 mtm -61.26 -38.34 86.35 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 120.998 0.428 . . . . 75.35 111.315 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HE2' HG22 ' A' ' 37' ' ' ILE . 67.0 mttm -72.1 -32.92 67.44 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.724 0.81 . . . . 74.44 112.479 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.0 mm -82.86 -60.56 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 123.101 0.56 . . . . 71.41 111.304 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.2 p -70.83 -43.07 69.3 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.825 0.85 . . . . 73.24 112.432 -173.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.99 20.99 31.7 Favored Glycine 0 CA--C 1.536 1.402 0 CA-C-N 116.298 -0.41 . . . . 61.32 112.997 -171.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -101.4 163.47 12.25 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.16 0.984 . . . . 73.43 110.5 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -88.25 161.99 16.88 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.743 0.417 . . . . 50.02 111.408 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.6 -50.82 71.87 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.589 1.155 . . . . 65.32 112.619 -172.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.65 -32.38 81.26 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 115.611 -0.722 . . . . 52.33 113.846 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -64.99 -39.77 93.96 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.799 0.84 . . . . 70.3 111.056 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.532 HG23 HD22 ' A' ' 21' ' ' LEU . 94.1 mt -67.3 -42.44 87.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.094 0 CA-C-N 114.839 -1.073 . . . . 71.23 110.952 174.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HD3' HD13 ' A' ' 36' ' ' ILE . 4.5 mmmp? -61.34 -39.89 92.23 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.49 0.716 . . . . 44.5 112.361 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -65.37 -38.98 91.7 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.846 0.458 . . . . 75.12 111.099 175.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.75 ' HE1' ' HG ' ' A' ' 18' ' ' LEU . 91.3 t90 -54.21 -46.18 72.43 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.918 0.887 . . . . 73.45 112.333 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.546 ' HB3' ' HG3' ' A' ' 29' ' ' GLN . 69.5 m-85 -55.73 -35.12 65.8 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.4 0.68 . . . . 65.03 112.119 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.4 t -70.53 -48.82 53.64 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.683 0.793 . . . . 60.14 111.945 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -65.45 -37.62 87.42 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.109 0.564 . . . . 74.45 111.803 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.1 m -65.82 -36.0 82.27 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.352 1.061 . . . . 75.25 112.632 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 . . . . . 0 CA--C 1.561 1.381 0 CA-C-O 121.185 0.517 . . . . 73.31 111.309 179.01 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.75 -0.463 . . . . 53.44 109.75 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -64.89 -34.28 78.03 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.149 0.58 . . . . 50.31 111.422 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.31 -49.09 77.01 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.468 1.107 . . . . 74.13 111.119 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.433 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 97.1 mt-30 -66.15 -48.39 70.93 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.253 -0.885 . . . . 75.53 111.829 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.21 -36.86 78.63 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.991 1.316 . . . . 74.23 110.941 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.78 95.31 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.607 0.763 . . . . 63.33 112.277 177.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -67.05 -36.44 82.07 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.338 0.655 . . . . 54.5 111.776 176.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 17' ' ' GLN . 85.3 mt -64.54 -37.79 88.78 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 115.843 -0.617 . . . . 74.0 110.79 175.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.487 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 88.2 mttt -64.33 -37.52 87.8 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.947 -0.57 . . . . 74.01 112.022 174.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.8 t -58.98 -44.33 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 CA-C-N 118.177 0.444 . . . . 54.23 110.993 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 t -61.75 -41.51 97.76 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 115.849 -0.614 . . . . 73.54 111.508 174.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -64.3 -34.17 77.51 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 124.121 0.968 . . . . 70.32 111.728 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 95.3 mt -71.11 -31.22 67.51 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.257 1.023 . . . . 64.03 111.704 177.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -69.96 -55.9 8.42 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.438 0.637 . . . . 61.41 110.021 172.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -163.89 138.7 5.97 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.487 1.115 . . . . 70.42 109.157 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -76.72 -6.92 54.18 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 112.715 0.635 . . . . 63.52 112.715 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -126.94 78.68 73.69 Favored Pre-proline 0 CA--C 1.563 1.461 0 C-N-CA 123.868 0.867 . . . . 64.31 110.458 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -76.47 156.27 36.51 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.567 2.178 . . . . 73.43 113.063 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -79.32 153.69 29.63 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.455 0.702 . . . . 72.51 110.603 176.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.97 -29.44 60.22 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 112.846 0.684 . . . . 74.33 112.846 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 p -62.97 -47.91 81.14 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.578 0.751 . . . . 44.11 111.355 173.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.98 -33.58 76.37 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.657 0.783 . . . . 72.43 111.213 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.404 ' O ' ' HG3' ' A' ' 40' ' ' MET . 92.2 mt -67.08 -43.58 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 123.298 0.639 . . . . 71.52 111.003 176.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.6 mt -62.33 -36.88 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 C-N-CA 123.2 0.6 . . . . 64.21 111.33 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -53.98 -55.2 29.34 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.159 0.584 . . . . 73.12 109.95 171.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.98 -36.98 80.85 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.044 0.937 . . . . 74.45 112.099 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 84.4 mtp -58.54 -41.7 86.15 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.037 0.935 . . . . 73.21 111.699 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -78.25 -32.37 49.61 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.084 0.553 . . . . 71.44 112.026 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.8 mm -72.89 -38.89 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 C-N-CA 123.068 0.547 . . . . 75.13 111.487 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.433 ' HB ' ' HG2' ' A' ' 17' ' ' GLN . 72.3 p -96.26 -53.24 3.69 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.706 0.802 . . . . 55.31 111.536 -173.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.27 -4.97 17.83 Favored Glycine 0 N--CA 1.481 1.684 0 CA-C-N 116.207 -0.451 . . . . 72.25 112.604 -171.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.77 164.2 23.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.507 1.123 . . . . 70.34 112.317 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.7 p -95.62 174.44 6.99 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.509 0.723 . . . . 74.41 110.634 173.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -60.16 -35.2 74.81 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.441 0.296 . . . . 70.34 111.384 170.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.72 -50.54 66.41 Favored Glycine 0 C--N 1.351 1.372 0 O-C-N 123.416 0.447 . . . . 54.12 112.635 175.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -55.33 -44.38 75.81 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.917 0.887 . . . . 75.51 112.483 177.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.45 -45.09 47.01 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.292 0 C-N-CA 123.45 0.7 . . . . 72.01 111.799 -175.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -60.31 -44.32 95.55 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 123.651 0.781 . . . . 61.22 112.018 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -67.58 -32.94 74.04 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.012 0.525 . . . . 73.41 111.361 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -63.83 -50.56 68.43 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 122.908 0.13 . . . . 72.02 110.671 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -63.27 -31.99 73.28 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.308 0.643 . . . . 73.42 111.498 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.7 t -59.72 -51.01 71.61 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.367 0.667 . . . . 55.42 111.392 175.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -75.06 -30.37 60.97 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 112.762 0.652 . . . . 72.42 112.762 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.6 m -72.37 -44.4 62.61 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.137 0.575 . . . . 75.42 111.705 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 120.546 0.212 . . . . 72.13 111.122 175.515 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 119.878 -0.106 . . . . 73.34 111.17 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -52.15 -42.37 63.32 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 113.379 0.881 . . . . 71.22 113.379 -175.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.17 -33.05 56.56 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.422 0.689 . . . . 74.03 112.534 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -68.48 -49.11 62.19 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.494 0.664 . . . . 51.14 110.388 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.67 -30.76 71.62 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 124.656 1.183 . . . . 71.03 111.17 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.91 91.83 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.585 0.754 . . . . 73.44 112.209 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.464 ' HB2' HG22 ' A' ' 43' ' ' THR . 73.2 mm-40 -61.71 -36.64 81.52 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.038 0.535 . . . . 55.23 111.576 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.57 HD22 HG23 ' A' ' 50' ' ' ILE . 56.5 mt -68.16 -37.15 80.7 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 115.734 -0.666 . . . . 52.51 111.205 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 14.2 mmtm -65.89 -44.9 83.93 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.66 0.784 . . . . 74.43 111.241 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.31 -40.64 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 C-N-CA 123.309 0.644 . . . . 73.25 110.614 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 t -63.16 -38.49 91.39 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.415 0.686 . . . . 63.42 111.527 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -68.24 -39.72 82.22 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.016 0.926 . . . . 74.43 111.772 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 96.0 mt -63.81 -32.25 73.7 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.908 0.883 . . . . 53.34 111.776 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -81.54 -53.87 5.9 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.323 0.649 . . . . 75.33 111.279 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.67 124.14 16.88 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.784 0.834 . . . . 63.23 111.786 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -82.36 -11.27 58.69 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.025 0.53 . . . . 71.15 111.401 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -124.59 71.21 57.95 Favored Pre-proline 0 CA--C 1.569 1.689 0 C-N-CA 124.362 1.065 . . . . 65.52 110.422 175.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HB3' ' HG2' ' A' ' 35' ' ' GLU . 15.2 Cg_exo -73.15 142.28 33.9 Favored 'Trans proline' 0 C--N 1.384 2.434 0 C-N-CA 122.84 2.36 . . . . 72.44 112.819 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.401 ' O ' HG12 ' A' ' 36' ' ' ILE . 32.5 m80 -72.38 165.65 24.11 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.74 0.816 . . . . 73.52 111.979 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.26 -36.42 77.76 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.25 0.62 . . . . 71.13 112.088 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.7 m -63.61 -38.82 92.58 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.785 0.834 . . . . 61.35 111.961 176.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.466 ' HG2' ' HB3' ' A' ' 31' ' ' PRO . 10.1 tp10 -60.74 -40.07 91.05 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.629 0.772 . . . . 73.33 111.055 174.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 50' ' ' ILE . 27.9 mm -67.53 -36.85 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 122.825 0.45 . . . . 72.13 111.546 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -55.51 -47.16 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 CA-C-O 121.511 0.672 . . . . 74.15 110.416 174.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -60.36 -49.0 79.34 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.624 -1.171 . . . . 72.01 111.333 174.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.68 -32.78 72.98 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.499 0.719 . . . . 72.03 112.585 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 69.5 mtm -66.04 -35.33 80.26 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 118.248 0.476 . . . . 70.41 111.33 177.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.69 -32.79 66.04 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.554 0.742 . . . . 75.05 112.267 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.4 mm -84.04 -46.64 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.412 0 CA-C-O 120.96 0.409 . . . . 73.44 111.165 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.464 HG22 ' HB2' ' A' ' 20' ' ' GLU . 51.4 p -79.38 -54.91 5.47 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.43 0.692 . . . . 74.15 111.529 -176.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.43 -4.52 29.68 Favored Glycine 0 N--CA 1.48 1.587 0 CA-C-N 116.215 -0.448 . . . . 65.32 112.72 -171.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.2 mt -83.34 175.02 10.18 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.41 1.084 . . . . 73.32 111.487 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.6 p -98.55 167.04 11.06 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.701 0.63 . . . . 63.22 112.701 -174.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' N ' ' SD ' ' A' ' 40' ' ' MET . 23.9 tptm -54.52 -44.69 72.99 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.428 1.091 . . . . 74.41 111.372 175.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.96 -52.39 42.35 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.188 -0.915 . . . . 71.23 113.201 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.09 -46.82 75.53 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 124.141 0.976 . . . . 74.33 113.135 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.57 HG23 HD22 ' A' ' 21' ' ' LEU . 75.5 mt -70.37 -50.8 43.39 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.284 0 C-N-CA 122.79 0.436 . . . . 73.24 112.0 -174.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HE2' HG13 ' A' ' 36' ' ' ILE . 54.7 mmtt -56.28 -38.31 71.02 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 123.153 0.581 . . . . 73.15 111.788 173.031 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -65.13 -40.4 94.4 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.225 1.01 . . . . 73.01 110.89 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -61.48 -45.31 94.79 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.952 0.901 . . . . 63.12 112.044 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -61.02 -31.23 70.86 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.541 0.336 . . . . 71.14 111.372 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 m -67.48 -44.61 78.11 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.996 0.519 . . . . 71.04 110.86 172.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -63.8 -37.34 87.01 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.489 0.716 . . . . 65.44 111.905 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 60.2 m -77.35 -36.49 53.67 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.392 0.677 . . . . 64.33 111.432 -176.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 . . . . . 0 N--CA 1.493 1.699 0 C-N-CA 123.211 0.604 . . . . 74.22 111.854 173.224 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 109.029 -0.73 . . . . 74.21 109.029 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -58.95 -29.82 67.42 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.417 0.525 . . . . 64.43 112.417 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.78 -49.48 68.18 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.264 0.626 . . . . 74.55 111.547 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.32 -50.04 74.55 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.33 0.652 . . . . 64.04 111.072 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.82 -35.91 81.46 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.962 1.305 . . . . 75.14 111.041 -176.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.454 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -65.39 -45.06 85.51 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.399 0.68 . . . . 72.44 111.785 178.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -62.78 -37.11 85.38 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.802 0.441 . . . . 62.01 111.742 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.483 HD22 HG23 ' A' ' 50' ' ' ILE . 84.3 mt -64.49 -40.02 94.89 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 116.043 -0.526 . . . . 71.54 110.834 174.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -62.17 -41.33 98.21 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.411 0.685 . . . . 63.04 111.808 174.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 19' ' ' ALA . 77.3 t -56.72 -40.88 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 C-N-CA 123.462 0.705 . . . . 73.23 111.627 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.8 t -74.68 -38.7 62.33 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.087 0.555 . . . . 65.42 111.434 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -63.07 -43.72 97.8 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.018 0.927 . . . . 71.12 112.478 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.04 -25.25 66.96 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.699 0.8 . . . . 64.43 112.363 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -87.38 -38.36 16.25 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.95 0.5 . . . . 73.1 111.078 174.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' A' ' 31' ' ' PRO . 60.8 t30 -155.99 110.45 2.85 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.615 0.766 . . . . 72.41 109.628 -175.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -71.24 -32.71 69.1 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.778 0.831 . . . . 55.33 111.562 -169.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -120.38 87.01 39.86 Favored Pre-proline 0 CA--C 1.553 1.071 0 N-CA-C 108.253 -1.017 . . . . 74.21 108.253 172.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.468 ' HA ' ' ND2' ' A' ' 28' ' ' ASN . 41.4 Cg_endo -87.23 175.4 4.81 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.808 2.339 . . . . 74.35 114.242 -174.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -77.66 161.46 27.77 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 115.171 -0.922 . . . . 74.11 111.909 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.06 -29.85 69.98 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.013 0.525 . . . . 72.25 110.965 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.3 p -61.3 -45.23 95.32 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.155 0.982 . . . . 74.23 111.704 174.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -57.7 -48.48 79.45 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 121.351 0.596 . . . . 55.53 110.405 173.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.55 HD13 ' HG2' ' A' ' 51' ' ' LYS . 88.6 mt -65.18 -30.4 50.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 CA-C-N 114.429 -1.26 . . . . 73.2 111.932 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.413 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 78.7 mt -67.5 -48.68 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 122.703 0.401 . . . . 74.33 110.38 171.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -53.28 -41.63 65.76 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.558 0.743 . . . . 71.35 110.927 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 36' ' ' ILE . 36.7 mt -66.51 -41.26 89.1 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.24 -0.891 . . . . 74.0 110.974 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.516 ' SD ' ' HB2' ' A' ' 47' ' ' LYS . 84.0 mtp -60.17 -35.69 75.91 Favored 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 123.128 0.571 . . . . 74.43 111.699 173.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 37' ' ' ILE . 29.7 mmmt -67.03 -46.75 73.49 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.668 0.787 . . . . 74.32 111.953 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.4 mm -84.2 -48.19 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.09 0.556 . . . . 74.13 112.033 -173.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.5 p -73.62 -35.99 65.41 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.106 0.562 . . . . 74.52 111.894 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.6 18.25 71.23 Favored Glycine 0 CA--C 1.538 1.476 0 CA-C-N 116.384 -0.371 . . . . 70.51 113.243 -173.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.6 mt -89.22 170.6 10.46 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.032 0.933 . . . . 75.51 111.536 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 p -89.79 152.73 21.15 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.534 -0.757 . . . . 64.12 109.993 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.516 ' HB2' ' SD ' ' A' ' 40' ' ' MET . 36.7 ttmt -58.36 -33.57 69.7 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 123.763 0.825 . . . . 70.32 112.486 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.19 -45.54 93.38 Favored Glycine 0 CA--C 1.535 1.317 0 CA-C-N 116.261 -0.427 . . . . 64.42 114.044 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.0 -46.39 90.98 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.497 0.719 . . . . 63.35 111.233 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.483 HG23 HD22 ' A' ' 21' ' ' LEU . 64.1 mt -65.73 -45.04 92.98 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 CA-C-N 115.124 -0.944 . . . . 75.25 112.623 -176.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.55 ' HG2' HD13 ' A' ' 36' ' ' ILE . 93.6 mttt -65.64 -42.14 91.78 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.61 0.596 . . . . 71.34 112.61 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -65.8 -36.22 82.9 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.231 0.212 . . . . 71.31 111.065 175.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -54.53 -47.07 73.59 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.585 0.754 . . . . 71.43 111.674 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -60.49 -40.79 92.6 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 112.525 0.565 . . . . 72.25 112.525 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 99.8 p -72.0 -42.38 66.49 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 112.308 0.484 . . . . 44.21 112.308 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -68.71 -35.81 77.64 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.192 0.597 . . . . 72.42 111.766 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.9 m -66.49 -43.03 86.51 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.669 0.787 . . . . 74.12 110.334 172.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? . . . . . 0 CA--C 1.549 0.918 0 C-N-CA 123.59 0.756 . . . . 74.42 111.297 177.081 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.2 p . . . . . 0 N--CA 1.485 1.296 0 N-CA-C 109.359 -0.608 . . . . 54.4 109.359 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -65.77 -22.65 66.6 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 112.307 0.484 . . . . 63.24 112.307 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -71.34 -46.27 60.95 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.338 0.655 . . . . 71.02 110.534 171.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.9 -50.64 67.95 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.283 0.633 . . . . 73.05 111.038 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.7 mt -52.97 -47.49 68.11 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.357 1.063 . . . . 71.2 112.244 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.5 -50.52 69.71 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.39 0.676 . . . . 75.43 112.323 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.69 -32.82 68.25 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.466 0.706 . . . . 74.05 112.502 -175.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.53 -34.42 70.02 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.892 0.477 . . . . 72.33 111.462 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.15 -40.14 90.34 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.003 0.521 . . . . 74.53 111.253 175.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.57 -45.26 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.293 0.637 . . . . 73.03 110.837 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.4 t -68.65 -28.33 66.79 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 115.806 -0.633 . . . . 72.22 112.139 176.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -69.48 -37.2 77.16 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.6 0.76 . . . . 70.25 111.004 176.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -69.79 -31.07 68.78 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.531 0.732 . . . . 61.33 111.618 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -79.84 -39.93 29.57 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.337 0.655 . . . . 75.34 111.247 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -160.34 103.43 1.42 Allowed 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.577 1.151 . . . . 71.01 110.923 -172.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -66.49 -28.98 69.0 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.563 0.696 . . . . 75.14 110.764 174.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -114.49 92.39 28.2 Favored Pre-proline 0 CA--C 1.557 1.225 0 C-N-CA 124.806 1.242 . . . . 63.4 108.14 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -77.57 149.49 27.08 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.031 2.487 . . . . 71.34 112.833 -174.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -89.67 -91.52 0.13 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.294 0.638 . . . . 72.0 111.388 -171.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -147.32 -57.22 0.25 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.027 0.931 . . . . 72.24 110.161 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.3 m -58.97 -42.27 89.53 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 124.067 0.947 . . . . 60.43 112.707 -173.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -58.77 -43.83 90.47 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.414 0.686 . . . . 73.24 110.982 173.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.455 HG21 ' HG3' ' A' ' 47' ' ' LYS . 10.5 mt -69.61 -33.3 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 115.316 -0.856 . . . . 61.54 110.989 -175.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.68 -42.64 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.424 0.69 . . . . 71.44 110.758 173.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -64.97 -39.98 94.3 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 116.119 -0.491 . . . . 70.13 110.726 175.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 36' ' ' ILE . 92.1 mt -61.78 -37.57 84.83 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.287 0.635 . . . . 73.21 111.59 173.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 58.5 mtm -64.48 -34.34 77.98 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.897 0.479 . . . . 62.25 111.273 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -70.03 -42.24 73.21 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.471 0.708 . . . . 74.11 111.773 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.8 mm -81.87 -62.11 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 122.873 0.469 . . . . 75.34 111.718 -175.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.2 p -69.31 -38.5 78.28 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.524 0.73 . . . . 64.24 111.96 -176.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.98 -4.58 59.08 Favored Glycine 0 N--CA 1.478 1.45 0 CA-C-N 116.368 -0.378 . . . . 72.43 113.747 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 mt -76.97 176.12 8.91 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.267 1.027 . . . . 74.14 111.688 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.6 p -104.97 156.12 18.33 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 123.442 0.697 . . . . 75.13 110.601 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HG3' HG21 ' A' ' 36' ' ' ILE . 36.9 ttpt -54.87 -46.4 74.73 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.949 1.092 . . . . 73.11 113.949 -171.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.48 -35.08 86.27 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 116.799 -0.182 . . . . 71.21 113.482 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -67.73 -41.32 83.64 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.958 0.903 . . . . 62.25 109.902 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.68 -46.14 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.569 1.147 . . . . 72.33 112.109 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -64.03 -29.55 70.69 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 112.274 0.472 . . . . 72.23 112.274 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.37 -33.89 75.62 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.411 0.284 . . . . 64.21 111.433 172.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -61.98 -47.4 84.98 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.542 0.337 . . . . 74.1 110.978 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -61.58 -32.01 72.08 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.165 0.586 . . . . 73.41 111.525 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -69.53 -44.16 71.54 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.12 0.568 . . . . 63.22 111.156 174.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -68.18 -35.34 77.87 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.272 0.629 . . . . 72.3 111.979 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.0 m -71.85 -40.55 68.93 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.116 0.566 . . . . 71.13 110.632 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 . . . . . 0 CA--C 1.553 1.07 0 C-N-CA 122.691 0.396 . . . . 70.21 111.929 174.642 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 111.312 0.116 . . . . 71.05 111.312 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -57.37 -44.8 84.72 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 112.901 0.704 . . . . 75.01 112.901 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -62.97 -38.0 89.37 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.284 0.634 . . . . 74.03 111.738 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -69.56 -45.89 67.68 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.48 -0.782 . . . . 72.43 111.369 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.33 -32.7 73.5 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.046 0.939 . . . . 73.23 111.978 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.471 ' HA ' ' HZ2' ' A' ' 22' ' ' LYS . . . -63.04 -48.41 78.84 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 123.173 0.589 . . . . 61.04 111.715 177.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.44 -38.23 89.26 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.257 0.623 . . . . 73.04 112.074 175.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.09 -41.24 99.35 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.198 0.599 . . . . 72.22 111.99 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.471 ' HZ2' ' HA ' ' A' ' 19' ' ' ALA . 10.0 mtmp? -67.73 -38.68 83.87 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.998 0.519 . . . . 70.43 111.958 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.8 t -58.23 -44.81 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-O 121.234 0.54 . . . . 52.24 110.587 171.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.9 t -67.61 -29.54 68.9 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.412 -0.813 . . . . 73.05 112.027 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -72.03 -39.82 68.87 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.393 0.677 . . . . 73.54 111.597 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 96.0 mt -62.82 -23.77 67.43 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.414 0.686 . . . . 52.45 112.35 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -93.78 -59.84 1.9 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.845 0.858 . . . . 71.42 110.823 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -126.34 111.12 14.14 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.949 1.299 . . . . 54.03 110.289 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -75.88 -19.03 59.17 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.043 0.537 . . . . 72.04 111.302 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -134.49 92.18 20.76 Favored Pre-proline 0 CA--C 1.569 1.686 0 C-N-CA 124.349 1.06 . . . . 62.3 109.871 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.35 150.93 37.36 Favored 'Trans proline' 0 C--N 1.381 2.262 0 C-N-CA 123.409 2.74 . . . . 75.21 113.219 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -87.02 -75.89 0.38 Allowed 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.619 0.768 . . . . 73.34 112.61 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -150.95 -58.37 0.17 Allowed 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.547 0.573 . . . . 73.42 112.547 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.4 m -61.88 -39.0 90.4 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.756 0.822 . . . . 60.23 111.992 -176.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -68.5 -35.02 76.92 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.454 0.701 . . . . 63.3 111.468 176.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.8 mt -64.13 -48.76 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 C-N-CA 122.931 0.492 . . . . 63.31 110.902 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.49 -35.01 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 123.351 0.661 . . . . 72.33 111.325 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -56.97 -52.76 63.94 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 115.807 -0.633 . . . . 63.04 110.493 172.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.14 -40.88 97.44 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.184 0.594 . . . . 53.04 111.631 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.519 ' HG3' HD12 ' A' ' 50' ' ' ILE . 49.1 mtp -54.47 -45.23 73.13 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 123.884 0.874 . . . . 54.12 112.614 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -90.06 -13.87 35.02 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 113.186 0.81 . . . . 63.23 113.186 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.8 mm -86.87 -56.68 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 C-N-CA 122.684 0.394 . . . . 73.51 110.253 171.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.5 p -66.17 -49.72 66.42 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.587 0.755 . . . . 64.23 111.533 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.12 24.64 5.91 Favored Glycine 0 N--CA 1.479 1.536 0 CA-C-N 116.338 -0.392 . . . . 72.52 112.825 -173.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.5 mt -101.51 171.95 7.26 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 113.614 0.968 . . . . 54.0 113.614 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.6 p -97.51 170.99 8.66 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 114.531 -1.213 . . . . 54.54 110.157 170.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -60.82 -54.51 44.24 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.411 0.685 . . . . 70.13 111.67 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.03 -33.44 64.13 Favored Glycine 0 CA--C 1.538 1.504 0 N-CA-C 114.505 0.562 . . . . 52.32 114.505 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.13 -51.68 66.92 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.388 0.675 . . . . 71.22 111.694 175.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.519 HD12 ' HG3' ' A' ' 40' ' ' MET . 67.3 mt -67.72 -48.57 75.51 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 C-N-CA 123.529 0.732 . . . . 73.32 111.737 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -51.42 -52.34 46.98 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.479 1.111 . . . . 75.45 112.209 177.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -71.93 -31.21 66.12 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.774 -0.648 . . . . 51.23 111.544 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -60.7 -49.64 76.71 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 111.832 0.308 . . . . 74.14 111.832 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -61.23 -28.63 69.29 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.924 0.49 . . . . 73.02 112.04 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.8 m -68.28 -55.84 10.72 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.144 0.578 . . . . 72.23 111.37 173.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.22 -29.16 68.74 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 112.99 0.737 . . . . 62.42 112.99 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.1 m -78.73 -32.82 46.95 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.172 0.589 . . . . 71.23 110.682 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 121.036 0.446 . . . . 74.44 109.841 171.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.5 p . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.766 0.317 . . . . 64.22 111.648 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -64.39 -24.71 67.73 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.371 0.668 . . . . 63.21 111.616 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.38 -46.75 47.15 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.658 0.783 . . . . 72.33 111.22 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -61.78 -38.62 88.74 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.105 0.562 . . . . 73.34 111.124 174.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.471 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 67.6 mt -64.74 -47.97 76.28 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.495 0.718 . . . . 71.14 111.241 175.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.44 73.71 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.089 0.956 . . . . 73.15 112.833 -174.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -62.44 -42.41 99.43 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.988 0.515 . . . . 64.24 111.746 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.412 HD22 HG23 ' A' ' 50' ' ' ILE . 84.7 mt -66.7 -36.68 83.07 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.653 -0.703 . . . . 73.5 111.377 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.488 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 47.9 mtpt -72.48 -44.1 62.76 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.184 0.594 . . . . 72.45 111.977 -177.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.1 t -60.84 -43.38 95.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 122.753 0.421 . . . . 70.24 110.632 176.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.6 t -63.98 -38.51 91.35 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 115.819 -0.628 . . . . 73.53 111.204 174.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -62.85 -33.66 75.73 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.044 0.937 . . . . 75.14 112.099 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 77.6 mt -71.55 -33.25 68.96 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.59 0.356 . . . . 73.32 111.842 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -77.04 -43.39 34.7 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.26 0.553 . . . . 55.4 110.831 173.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -143.61 102.83 4.0 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.783 1.233 . . . . 63.52 110.201 -175.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.63 -29.4 68.71 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.632 0.73 . . . . 72.2 110.812 178.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -111.82 91.93 16.32 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 125.38 1.472 . . . . 73.5 107.754 171.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -75.53 143.45 27.45 Favored 'Trans proline' 0 C--N 1.366 1.476 0 C-N-CA 122.595 2.197 . . . . 62.54 113.074 -175.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -67.51 153.73 43.03 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.008 0.523 . . . . 71.43 109.923 173.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' O ' HG13 ' A' ' 37' ' ' ILE . 19.2 t70 -54.21 -40.91 68.08 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.093 0.557 . . . . 51.33 111.926 -177.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.8 t -63.25 -38.56 91.65 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.114 0.966 . . . . 71.23 112.31 176.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.68 -43.3 97.06 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.483 0.713 . . . . 65.34 110.757 175.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.0 mt -62.12 -36.23 73.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.796 0.839 . . . . 74.41 110.832 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.511 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 85.3 mt -63.1 -46.3 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 122.857 0.463 . . . . 64.12 110.724 174.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -55.26 -43.51 74.74 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.018 0.527 . . . . 64.24 111.029 175.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.6 -35.3 77.46 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.46 -0.791 . . . . 74.33 111.576 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.2 mtm -67.4 -39.87 85.6 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 122.513 0.325 . . . . 72.54 111.038 171.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 37' ' ' ILE . 32.2 mmmt -65.35 -29.2 69.9 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.495 0.718 . . . . 75.11 111.721 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.4 mm -92.37 -64.61 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 C-N-CA 122.9 0.48 . . . . 52.52 111.153 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.8 p -66.14 -33.39 75.67 Favored 'General case' 0 N--CA 1.502 2.146 0 N-CA-C 113.012 0.745 . . . . 73.45 113.012 -172.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.68 -0.35 67.55 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-N 116.378 -0.374 . . . . 34.42 113.684 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.4 mt -74.83 175.96 7.53 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.953 0.901 . . . . 72.45 112.132 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -101.33 159.4 15.3 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 115.802 -0.635 . . . . 63.31 110.854 172.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HG2' ' HE2' ' A' ' 51' ' ' LYS . 38.6 ttmt -56.23 -36.04 68.04 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.215 1.006 . . . . 71.35 112.426 -177.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.38 -54.94 32.04 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-N 115.995 -0.548 . . . . 62.15 112.906 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -56.22 -40.18 73.67 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 123.844 0.857 . . . . 75.34 112.444 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.412 HG23 HD22 ' A' ' 21' ' ' LEU . 72.6 mt -65.65 -47.88 84.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-N 115.199 -0.909 . . . . 64.35 111.731 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' HE2' ' HG2' ' A' ' 47' ' ' LYS . 55.6 mtmt -69.0 -29.83 68.11 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 112.171 0.434 . . . . 73.33 112.171 178.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -64.91 -34.49 78.53 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.234 0.614 . . . . 73.33 110.662 172.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -69.49 -49.93 50.07 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.291 174.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -61.35 -30.97 70.85 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.435 0.694 . . . . 71.21 111.791 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.1 t -61.92 -53.44 55.66 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.368 0.667 . . . . 72.52 110.949 175.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -63.55 -45.06 92.28 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.358 0.663 . . . . 73.24 111.665 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 27.8 m -63.98 -35.6 81.24 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.813 0.845 . . . . 64.35 111.964 -176.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? . . . . . 0 N--CA 1.487 1.418 0 C-N-CA 123.274 0.63 . . . . 72.34 111.197 170.75 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.9 p . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 112.678 0.621 . . . . 64.42 112.678 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -64.82 -31.57 72.86 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.302 0.641 . . . . 70.03 111.548 -172.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 2.1 mp0 -69.14 -50.69 45.52 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.883 0.873 . . . . 73.31 109.409 179.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.464 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 76.5 mt-30 -59.31 -54.93 41.22 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.727 1.211 . . . . 72.01 112.525 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 tt -58.66 -37.9 77.0 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 124.075 0.95 . . . . 75.32 110.625 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -64.41 -49.46 71.44 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.286 0.634 . . . . 54.51 112.135 177.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 39.3 mm-40 -56.93 -40.23 75.99 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.582 0.753 . . . . 74.14 112.047 179.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 17' ' ' GLN . 85.9 mt -68.81 -40.19 79.66 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.146 -0.934 . . . . 75.13 111.255 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 48.6 mtpt -65.69 -41.92 91.82 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.59 0.356 . . . . 73.34 111.833 176.084 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.433 HG12 ' HE2' ' A' ' 27' ' ' LYS . 83.2 t -59.7 -44.02 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 123.343 0.657 . . . . 72.43 110.856 177.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 t -65.68 -35.58 81.19 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.431 0.692 . . . . 75.42 111.762 175.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -68.81 -34.97 76.4 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.852 0.861 . . . . 73.13 111.708 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 94.8 mt -74.73 -25.89 59.42 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.421 0.689 . . . . 53.04 111.722 178.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HE2' HG12 ' A' ' 23' ' ' VAL . 66.4 mttm -70.65 -55.18 9.34 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.587 0.708 . . . . 52.1 109.831 169.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -151.89 122.13 7.23 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 114.601 -1.181 . . . . 74.51 109.469 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -72.97 -6.2 43.81 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 112.356 0.502 . . . . 74.41 112.356 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -122.55 93.01 48.79 Favored Pre-proline 0 CA--C 1.556 1.208 0 C-N-CA 124.767 1.227 . . . . 61.03 108.809 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -77.44 143.76 22.18 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 122.953 2.435 . . . . 50.44 113.408 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -78.33 147.43 34.22 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.519 -0.764 . . . . 54.43 110.023 173.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -63.77 -34.95 79.05 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 122.821 0.448 . . . . 74.34 112.055 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.2 m -69.06 -35.09 76.17 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.157 0.583 . . . . 74.01 111.685 173.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -63.87 -37.13 86.25 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.313 0.578 . . . . 71.44 110.63 173.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.469 HG21 ' HG3' ' A' ' 47' ' ' LYS . 90.7 mt -66.55 -36.08 76.41 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 C-N-CA 123.74 0.816 . . . . 75.44 111.603 175.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.455 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 47.9 mm -54.69 -43.24 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 C-N-CA 123.062 0.545 . . . . 75.32 110.607 174.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -63.34 -45.18 92.43 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 123.905 0.882 . . . . 72.02 111.396 175.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.0 -38.78 89.89 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 123.409 0.684 . . . . 62.03 112.719 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.455 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 67.9 mtm -60.59 -29.97 69.53 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 123.554 0.742 . . . . 73.54 112.527 -177.582 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -68.3 -38.76 81.93 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.477 0.711 . . . . 54.33 111.873 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.8 mm -88.63 -35.71 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.246 0.619 . . . . 73.35 111.621 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.464 ' HB ' ' HG2' ' A' ' 17' ' ' GLN . 66.5 p -81.1 -51.43 8.47 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.025 0.53 . . . . 54.14 112.022 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.1 24.4 27.15 Favored Glycine 0 N--CA 1.474 1.224 0 CA-C-N 115.909 -0.587 . . . . 72.34 112.379 -170.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.0 mt -98.78 164.15 12.34 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.177 0.991 . . . . 71.11 110.417 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.2 p -85.59 159.07 19.96 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 109.452 -0.573 . . . . 73.32 109.452 168.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HG3' HG21 ' A' ' 36' ' ' ILE . 5.4 ttpm? -59.4 -38.61 80.99 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.917 0.487 . . . . 71.31 110.952 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.434 ' O ' ' HG2' ' A' ' 52' ' ' LYS . . . -57.03 -50.53 63.48 Favored Glycine 0 CA--C 1.542 1.724 0 O-C-N 123.8 0.687 . . . . 74.13 113.738 174.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.8 -43.83 81.31 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.119 0.967 . . . . 64.52 112.503 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.87 -44.72 96.23 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-N 115.633 -0.712 . . . . 64.32 111.291 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -61.56 -34.25 75.26 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 111.834 0.309 . . . . 72.02 111.834 177.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 48' ' ' GLY . 75.0 mmtt -61.4 -51.9 66.81 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.79 0.436 . . . . 75.13 110.559 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -56.22 -48.7 75.93 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.813 0.696 . . . . 71.23 111.493 -176.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -63.46 -35.62 81.05 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.257 0.623 . . . . 75.12 112.315 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.9 m -62.32 -46.92 86.56 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 122.544 0.338 . . . . 53.32 111.141 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.74 -35.59 80.48 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.261 0.624 . . . . 63.12 112.22 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.1 m -71.77 -35.24 70.0 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 123.0 0.52 . . . . 75.54 111.162 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? . . . . . 0 N--CA 1.485 1.297 0 C-N-CA 123.626 0.77 . . . . 74.14 111.266 170.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.444 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 30.1 p . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 112.61 0.596 . . . . 74.51 112.61 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' A' ' 18' ' ' LEU . 65.2 tttp -54.33 -32.57 56.96 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.642 1.177 . . . . 73.53 112.453 177.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -66.02 -42.57 89.47 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.218 1.007 . . . . 71.15 110.719 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -68.87 -41.18 78.73 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.436 0.694 . . . . 74.44 111.036 176.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.569 HD22 ' HE1' ' A' ' 53' ' ' TRP . 82.2 mt -57.95 -38.86 76.77 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.749 0.82 . . . . 73.23 111.497 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.04 -51.25 66.91 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 124.336 1.054 . . . . 55.13 113.474 -175.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -67.35 -34.33 77.1 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.432 0.693 . . . . 62.51 111.343 -177.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.565 HD22 HG23 ' A' ' 50' ' ' ILE . 62.0 mt -70.44 -35.93 73.64 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 114.956 -1.02 . . . . 73.51 111.233 176.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -62.28 -51.18 68.75 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.691 0.796 . . . . 41.44 110.886 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -63.45 -31.52 53.2 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.329 0 CA-C-N 115.676 -0.693 . . . . 60.3 111.214 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.1 t -68.78 -45.46 71.28 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 123.23 0.612 . . . . 62.34 111.154 172.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -62.89 -35.13 79.03 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.314 1.046 . . . . 63.23 111.667 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.6 -18.34 61.98 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.997 0.919 . . . . 64.42 112.901 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -94.89 -54.82 3.32 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.97 0.508 . . . . 73.45 109.742 166.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -155.11 144.37 21.07 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.181 0.808 . . . . 74.41 113.181 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.687 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 26.0 tt0 -71.01 -29.94 66.02 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.355 0.662 . . . . 74.11 110.604 165.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -107.5 88.71 4.35 Favored Pre-proline 0 CA--C 1.558 1.288 0 C-N-CA 124.333 1.053 . . . . 72.22 109.73 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 29' ' ' GLN . 43.4 Cg_endo -91.9 -168.56 0.24 Allowed 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 123.159 2.573 . . . . 63.43 112.698 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.459 ' O ' HG13 ' A' ' 36' ' ' ILE . 83.1 m-70 -87.05 146.34 26.13 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.148 0.579 . . . . 73.12 111.367 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.22 -53.22 60.74 Favored 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 123.761 0.824 . . . . 60.34 112.453 -172.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.2 t -62.56 -32.22 73.16 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 123.536 0.734 . . . . 52.54 112.429 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -66.36 -38.09 86.8 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 123.898 0.879 . . . . 73.21 111.45 176.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 32' ' ' HIS . 49.4 mt -68.9 -36.42 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 C-N-CA 123.135 0.574 . . . . 73.35 110.539 175.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.3 mt -58.47 -41.36 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 123.112 0.565 . . . . 53.44 110.809 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.449 ' O ' HG12 ' A' ' 42' ' ' ILE . 38.5 ttm180 -68.93 -37.63 79.02 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 116.218 -0.446 . . . . 71.4 111.266 174.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.1 mt -59.67 -34.6 73.05 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.71 0.404 . . . . 73.21 111.336 173.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 52.6 mtm -63.87 -38.28 90.5 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 122.825 0.45 . . . . 32.41 110.886 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -69.88 -34.97 74.27 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.657 0.783 . . . . 72.42 111.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 38' ' ' ARG . 43.7 mm -78.72 -46.22 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 123.136 0.574 . . . . 65.13 111.53 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.6 p -83.47 -47.65 11.15 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.065 0.546 . . . . 70.44 112.054 -174.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.11 7.73 43.09 Favored Glycine 0 N--CA 1.48 1.618 0 C-N-CA 123.054 0.359 . . . . 40.23 112.749 -172.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.4 mt -88.46 174.87 7.86 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.308 1.043 . . . . 74.0 111.185 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.483 ' OG1' ' HG2' ' A' ' 49' ' ' GLU . 11.8 p -96.18 170.45 9.25 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 120.887 0.375 . . . . 63.24 110.821 175.015 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -56.62 -41.18 76.65 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.224 1.01 . . . . 63.34 111.183 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.93 -36.83 51.49 Favored Glycine 0 CA--C 1.537 1.445 0 CA-C-N 114.784 -1.098 . . . . 64.24 114.204 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.483 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 34.5 mm-40 -63.42 -35.61 80.99 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 118.107 0.954 . . . . 72.03 112.508 -178.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.565 HG23 HD22 ' A' ' 21' ' ' LEU . 89.9 mt -68.43 -40.75 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 CA-C-N 115.506 -0.77 . . . . 74.54 111.136 178.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -70.42 -34.94 73.07 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.043 0.537 . . . . 75.4 112.07 175.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -60.19 -40.55 90.43 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.92 0.488 . . . . 73.14 110.265 171.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.569 ' HE1' HD22 ' A' ' 18' ' ' LEU . 86.1 t90 -62.75 -48.93 77.06 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 123.902 0.751 . . . . 74.44 110.717 176.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.687 ' HB3' ' HG3' ' A' ' 29' ' ' GLN . 19.4 m-85 -56.28 -49.52 74.0 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.127 0.571 . . . . 73.13 111.956 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -63.65 -43.2 97.47 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.561 0.744 . . . . 72.33 111.906 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.3 -37.87 78.0 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.938 0.895 . . . . 54.1 111.707 -177.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.6 m -68.03 -33.49 74.69 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.799 0.84 . . . . 51.34 111.185 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 . . . . . 0 CA--C 1.552 1.056 0 C-N-CA 122.573 0.349 . . . . 74.43 110.864 176.113 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 111.464 0.172 . . . . 70.11 111.464 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -64.72 -21.59 66.79 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 112.354 0.502 . . . . 52.25 112.354 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.87 -49.97 72.76 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.734 0.814 . . . . 75.43 110.43 172.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -70.48 -47.33 61.11 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.611 -1.177 . . . . 74.25 110.788 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 tt -55.52 -37.9 68.53 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 125.426 1.49 . . . . 65.3 110.875 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -58.89 -50.87 72.41 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.585 0.754 . . . . 71.43 111.73 176.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -61.74 -40.02 93.64 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.165 0.586 . . . . 71.11 111.674 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.9 mt -67.46 -36.44 81.15 Favored 'General case' 0 CA--C 1.555 1.169 0 CA-C-N 115.26 -0.882 . . . . 63.11 111.258 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -68.11 -43.5 78.29 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 123.559 0.744 . . . . 55.54 111.673 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 19' ' ' ALA . 94.1 t -58.47 -40.99 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.166 0.587 . . . . 64.11 110.846 175.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.8 t -72.58 -32.66 66.18 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.175 0.59 . . . . 73.55 111.992 176.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -69.38 -40.67 77.27 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 123.928 0.891 . . . . 65.2 111.994 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.0 -23.74 64.13 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.697 0.799 . . . . 75.34 111.684 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -79.41 -49.73 11.89 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.388 0.675 . . . . 73.13 110.473 171.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -159.97 118.1 2.67 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.24 1.016 . . . . 61.01 109.945 -171.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -70.31 -29.74 66.55 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.797 0.839 . . . . 54.52 111.911 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -116.28 82.54 11.83 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 124.319 1.047 . . . . 73.42 109.314 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -72.55 141.38 34.54 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 122.535 2.157 . . . . 64.35 112.574 -175.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -66.81 154.16 41.57 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.64 -0.709 . . . . 71.5 110.258 172.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.551 ' O ' HG12 ' A' ' 37' ' ' ILE . 7.6 m-20 -55.32 -33.69 63.54 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.06 0.763 . . . . 73.41 113.06 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.8 m -56.92 -45.98 82.32 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.679 0.791 . . . . 44.24 111.855 175.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -66.07 -37.6 86.21 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.329 0.652 . . . . 63.23 111.061 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.431 ' O ' ' HG3' ' A' ' 40' ' ' MET . 79.1 mt -68.82 -35.25 68.67 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 C-N-CA 123.182 0.593 . . . . 63.33 112.092 -178.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 33' ' ' ASP . 42.5 mm -61.36 -44.76 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 CA-C-O 121.558 0.694 . . . . 63.24 109.572 173.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -59.9 -40.72 89.72 Favored 'General case' 0 CA--C 1.559 1.316 0 CA-C-N 114.334 -1.303 . . . . 74.3 111.676 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.7 -37.7 82.65 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.334 0.654 . . . . 73.21 111.424 176.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.502 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 56.7 mtm -62.72 -32.37 73.48 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 122.926 0.49 . . . . 50.04 111.546 177.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -63.44 -35.7 81.28 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.626 0.77 . . . . 64.12 112.349 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.51 -50.59 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 123.027 0.531 . . . . 72.52 111.643 -173.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.8 p -70.81 -38.77 73.32 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.64 0.776 . . . . 72.21 111.986 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.23 -3.37 86.75 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-N 116.65 -0.25 . . . . 51.25 112.937 -173.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . 94.3 mt -74.97 166.98 22.8 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.001 0.921 . . . . 70.52 111.143 176.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.4 p -90.18 166.24 13.49 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.615 0.366 . . . . 73.42 110.128 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -54.97 -35.98 64.87 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 123.556 0.743 . . . . 75.24 111.912 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.01 -44.24 89.06 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 115.376 -0.829 . . . . 74.53 113.36 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 30.3 mm-40 -64.79 -36.82 85.55 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.183 0.593 . . . . 54.02 111.294 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.6 mt -70.94 -55.62 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 115.311 -0.859 . . . . 74.53 111.509 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -58.52 -34.44 70.97 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 118.288 0.494 . . . . 74.41 111.857 176.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.9 -45.82 92.07 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.448 0.468 . . . . 71.44 110.873 175.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -59.96 -48.63 80.92 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.527 0.331 . . . . 71.1 111.282 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -62.59 -38.14 88.97 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 122.998 0.519 . . . . 73.02 112.197 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.8 p -71.18 -38.72 72.12 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.662 0.385 . . . . 64.41 111.588 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.91 -28.12 68.05 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.046 0.538 . . . . 53.44 111.995 173.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.6 m -84.41 -27.74 27.4 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.986 0.514 . . . . 63.31 110.719 176.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.219 0.533 . . . . 72.04 109.999 166.896 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 19.6 p . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 111.417 0.155 . . . . 61.5 111.417 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -73.54 -24.11 60.08 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.897 0.479 . . . . 62.11 111.466 174.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.61 -43.95 75.33 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.615 0.721 . . . . 74.42 110.296 174.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -69.57 -45.33 68.94 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 114.966 -1.015 . . . . 75.32 110.799 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.483 HD22 ' HE2' ' A' ' 22' ' ' LYS . 1.3 tt -62.06 -33.9 75.26 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.946 1.298 . . . . 71.43 110.982 -178.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.67 -50.6 73.24 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.691 0.796 . . . . 50.52 111.923 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -65.47 -38.15 88.95 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 116.041 -0.527 . . . . 75.21 111.586 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.486 HD23 HD13 ' A' ' 39' ' ' LEU . 92.8 mt -64.01 -38.73 92.16 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-N 115.672 -0.694 . . . . 73.1 111.631 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.483 ' HE2' HD22 ' A' ' 18' ' ' LEU . 63.0 mttm -61.69 -47.73 83.98 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.355 0.662 . . . . 74.42 111.192 174.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -56.63 -45.31 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.369 0.668 . . . . 72.13 110.905 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.57 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 25.9 t -68.85 -31.22 70.02 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.608 0.763 . . . . 75.34 112.05 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -67.65 -31.86 72.15 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.063 0.945 . . . . 53.51 111.004 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 79.4 mt -65.81 -34.98 79.41 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.377 0.671 . . . . 62.45 111.601 174.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.57 ' HD3' ' HA ' ' A' ' 24' ' ' SER . 0.6 OUTLIER -65.97 -58.88 4.53 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 109.376 -0.602 . . . . 74.34 109.376 170.03 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.412 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -174.56 142.19 0.72 Allowed 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 114.826 -1.079 . . . . 63.01 110.967 -175.159 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -73.54 -26.92 61.07 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 121.391 0.615 . . . . 53.35 111.655 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -114.69 79.91 6.01 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 123.045 0.538 . . . . 72.44 109.646 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HB2' HG13 ' A' ' 36' ' ' ILE . 16.8 Cg_exo -69.39 162.29 42.47 Favored 'Trans proline' 0 C--N 1.385 2.48 0 C-N-CA 122.873 2.382 . . . . 73.31 114.047 -176.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -73.74 -77.34 0.11 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.506 0.723 . . . . 64.3 111.453 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -158.25 -58.16 0.07 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.898 0.479 . . . . 73.32 111.39 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 t -61.9 -30.07 70.63 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.584 0.754 . . . . 65.03 112.178 -177.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.58 -44.72 93.23 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.864 0.866 . . . . 71.35 110.956 174.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.576 HG21 ' HG3' ' A' ' 47' ' ' LYS . 63.7 mt -67.1 -47.39 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 C-N-CA 123.332 0.653 . . . . 64.11 111.073 177.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.9 mt -65.33 -31.89 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.854 0.861 . . . . 75.51 111.324 -177.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -57.71 -46.94 83.71 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.674 0.79 . . . . 75.24 110.464 171.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.486 HD13 HD23 ' A' ' 21' ' ' LEU . 45.3 mt -65.51 -41.26 93.37 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.503 -0.771 . . . . 74.43 111.203 176.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.2 mtp -57.96 -32.98 68.36 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 123.495 0.718 . . . . 70.23 111.927 178.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.22 -30.62 38.62 Favored 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 113.11 0.782 . . . . 63.24 113.11 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.4 mm -97.34 -57.69 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 122.105 -0.372 . . . . 72.25 111.942 -176.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 p -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.268 0.627 . . . . 33.22 111.668 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.17 0.07 80.92 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-N 116.127 -0.488 . . . . 72.24 113.298 -175.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.8 mt -75.86 154.55 36.02 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.616 0.766 . . . . 62.22 111.102 173.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.3 p -79.4 162.1 25.74 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.954 -0.566 . . . . 71.4 110.426 175.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.576 ' HG3' HG21 ' A' ' 36' ' ' ILE . 40.7 ttmt -56.3 -34.91 66.94 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.279 0.632 . . . . 72.23 111.847 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.06 -43.35 95.88 Favored Glycine 0 CA--C 1.537 1.447 0 CA-C-N 116.001 -0.545 . . . . 23.21 113.757 176.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -62.08 -45.69 92.38 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.77 0.828 . . . . 65.34 112.127 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.43 HD13 ' HB2' ' A' ' 39' ' ' LEU . 95.9 mt -62.51 -52.83 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.168 0 C-N-CA 123.962 0.905 . . . . 73.15 111.913 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -56.75 -38.26 72.16 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.516 0.726 . . . . 32.44 112.252 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.54 -48.36 77.83 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.996 -0.547 . . . . 63.5 111.076 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -56.62 -48.47 77.42 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.926 0.766 . . . . 74.31 111.163 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -55.56 -44.96 77.31 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 124.081 0.863 . . . . 72.42 112.114 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.3 t -64.28 -37.75 88.58 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.865 0.466 . . . . 74.11 111.684 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -75.83 -26.51 57.27 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.984 0.735 . . . . 71.32 112.984 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 m -56.14 -42.87 77.61 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.248 0.833 . . . . 70.33 113.248 -171.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 112.478 0.547 . . . . 72.41 112.478 -179.145 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.8 p . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.843 -0.429 . . . . 75.02 109.843 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -68.9 -21.96 64.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 122.083 -0.385 . . . . 74.4 111.08 174.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.27 -39.35 86.06 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.09 0.556 . . . . 73.12 110.948 173.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -76.57 -52.94 8.76 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.667 0.746 . . . . 73.14 111.672 176.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.99 -39.36 83.26 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 124.612 1.165 . . . . 75.21 112.179 -169.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.34 -32.66 74.14 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 112.726 0.639 . . . . 63.21 112.726 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -67.32 -38.58 85.15 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.865 0.466 . . . . 62.12 111.514 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.57 -35.95 75.84 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 115.989 -0.55 . . . . 74.3 111.046 173.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.49 ' HA ' ' HH2' ' A' ' 53' ' ' TRP . 7.1 tmtt? -67.73 -52.69 34.59 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.417 1.087 . . . . 72.22 110.849 -173.213 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.619 HG12 ' HE2' ' A' ' 27' ' ' LYS . 62.3 t -67.54 -35.55 73.52 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 123.593 0.757 . . . . 65.41 110.942 178.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.9 t -63.55 -34.66 78.29 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 122.978 0.511 . . . . 74.22 111.602 174.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -68.49 -42.64 78.34 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.345 0.658 . . . . 63.33 111.374 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.44 -27.66 67.68 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.459 0.704 . . . . 71.51 111.734 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.619 ' HE2' HG12 ' A' ' 23' ' ' VAL . 64.4 mttm -85.5 -39.95 16.89 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.656 0.782 . . . . 64.55 111.55 174.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -159.13 129.21 5.73 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.528 0.731 . . . . 60.53 111.248 -174.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.29 -28.35 31.8 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.905 0.882 . . . . 74.31 111.704 -175.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -131.5 86.74 48.71 Favored Pre-proline 0 N--CA 1.486 1.361 0 C-N-CA 123.469 0.708 . . . . 64.32 110.679 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -77.91 162.51 29.33 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.812 2.341 . . . . 72.15 112.782 175.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -69.92 147.58 50.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.264 0.626 . . . . 74.11 110.893 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -60.24 -35.98 76.69 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.24 0.616 . . . . 63.11 112.64 -177.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m -73.93 -34.14 64.21 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.153 0.581 . . . . 61.43 111.446 176.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.55 -31.96 72.4 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.037 0.935 . . . . 73.23 111.151 173.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -66.92 -33.18 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.793 0.837 . . . . 75.42 111.402 174.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.411 ' HA ' ' SD ' ' A' ' 40' ' ' MET . 65.9 mt -59.49 -35.66 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 122.839 0.456 . . . . 75.23 111.25 176.144 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -61.43 -48.63 80.32 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.19 0.596 . . . . 74.31 110.895 171.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.59 -29.82 70.28 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.251 0.62 . . . . 65.43 112.277 175.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.411 ' SD ' ' HA ' ' A' ' 37' ' ' ILE . 76.7 mtp -70.51 -36.76 73.94 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.878 0.871 . . . . 73.1 110.961 176.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -78.41 -10.7 59.8 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.413 0.685 . . . . 64.12 112.225 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.1 mm -91.73 -49.3 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.294 0.638 . . . . 74.22 110.53 170.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.8 p -76.73 -58.63 3.17 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.486 0.714 . . . . 65.32 111.73 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.55 1.87 32.79 Favored Glycine 0 N--CA 1.476 1.322 0 CA-C-N 116.061 -0.518 . . . . 61.5 112.313 -169.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 74.5 mt -88.03 178.22 6.72 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.434 1.094 . . . . 71.02 111.124 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.5 p -93.02 169.07 10.7 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.938 0.495 . . . . 63.43 111.08 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -66.93 -33.23 75.12 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.279 0.632 . . . . 74.34 110.666 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.04 -37.29 87.34 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-N 115.562 -0.745 . . . . 75.3 113.196 175.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -57.18 -49.47 75.88 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.853 0.861 . . . . 72.31 111.235 173.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.3 mt -73.87 -46.05 47.72 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.449 0 C-N-CA 123.603 0.761 . . . . 72.01 112.638 -174.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -54.28 -45.58 72.5 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 123.17 0.588 . . . . 75.01 111.433 173.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -65.54 -43.55 89.63 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.994 0.918 . . . . 62.14 111.514 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.49 ' HH2' ' HA ' ' A' ' 22' ' ' LYS . 78.5 t90 -60.65 -49.99 75.29 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.462 0.705 . . . . 75.55 111.88 -174.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -59.79 -34.98 73.75 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.551 0.741 . . . . 70.13 112.023 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.8 m -71.65 -42.8 67.11 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.119 0.568 . . . . 61.53 112.164 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -72.66 -30.94 64.7 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 112.493 0.553 . . . . 71.24 112.493 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.8 m -72.33 -37.09 68.98 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.672 0.789 . . . . 73.14 110.174 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 50.2 ttt85 . . . . . 0 CA--C 1.553 1.076 0 C-N-CA 124.376 1.07 . . . . 64.31 111.328 172.449 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.531 0.205 . . . . 52.5 111.498 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -130.79 -46.19 1.05 Allowed 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.81 0.844 . . . . 74.43 110.334 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.1 mmt -97.06 103.83 16.69 Favored Pre-proline 0 CA--C 1.561 1.381 0 C-N-CA 123.786 0.834 . . . . 65.2 109.833 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -83.59 6.54 5.73 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.481 2.121 . . . . 74.41 114.472 -174.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -139.16 140.73 37.94 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.462 0.649 . . . . 74.01 112.28 -175.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -150.74 12.13 0.69 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.077 1.351 . . . . 73.22 109.806 168.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -105.92 98.55 8.22 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.114 0.965 . . . . 64.43 111.083 -168.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.32 91.37 1.53 Allowed Glycine 0 CA--C 1.535 1.341 0 CA-C-N 115.876 -0.602 . . . . 74.34 113.181 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.8 mt -61.94 104.83 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 123.723 0.809 . . . . 45.34 110.759 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 59.34 19.29 7.51 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.207 1.003 . . . . 71.45 113.125 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.73 132.26 36.89 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.215 0.606 . . . . 52.23 111.27 -176.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.99 132.26 35.37 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.893 0.877 . . . . 74.12 110.249 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -66.57 112.8 4.32 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 122.595 0.358 . . . . 74.14 110.17 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.5 p -60.45 161.71 7.12 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 122.963 0.505 . . . . 74.02 111.111 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.9 -36.26 67.47 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.985 0.514 . . . . 71.41 111.496 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.71 -49.81 64.84 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.936 0.494 . . . . 63.34 111.901 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -62.89 -41.5 99.44 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.674 0.749 . . . . 65.54 111.368 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 tt -70.07 -33.67 72.2 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 125.335 1.454 . . . . 63.41 110.808 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.82 -33.2 70.44 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.257 0.623 . . . . 72.12 112.487 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -65.28 -37.61 87.69 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.198 0.523 . . . . 65.2 110.702 173.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.38 -38.03 89.55 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 115.518 -0.765 . . . . 71.45 110.887 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 94.3 mttt -60.66 -43.54 97.52 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 122.73 0.412 . . . . 71.34 111.828 174.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.94 -41.51 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 123.142 0.577 . . . . 74.11 111.215 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.45 ' HB3' ' HZ ' ' A' ' 54' ' ' PHE . 38.7 t -66.79 -35.66 80.59 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.522 -0.763 . . . . 74.15 112.094 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -72.07 -38.05 69.52 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 122.737 0.415 . . . . 73.45 111.358 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 87.3 mt -67.06 -38.09 85.18 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.616 0.766 . . . . 72.25 112.027 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HG3' ' ND2' ' A' ' 28' ' ' ASN . 19.8 ptpt -76.11 -39.53 54.98 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.367 0.267 . . . . 73.52 111.377 177.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.451 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 5.3 p30 -159.56 124.98 4.16 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.538 0.735 . . . . 50.54 110.967 174.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -73.15 -14.18 61.32 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.775 0.83 . . . . 64.11 112.537 -173.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -120.66 89.85 45.36 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 124.446 1.099 . . . . 62.14 108.574 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.451 ' HA ' ' OD1' ' A' ' 28' ' ' ASN . 21.3 Cg_exo -65.05 137.04 50.79 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.241 2.627 . . . . 73.34 114.339 -171.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -73.31 149.4 42.7 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.214 0.606 . . . . 74.21 109.95 171.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.38 -40.83 78.99 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.509 0.723 . . . . 63.42 112.629 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.0 m -63.37 -36.9 85.23 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.368 0.667 . . . . 50.35 112.172 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 13.2 tp10 -67.89 -38.66 83.29 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.231 0.612 . . . . 61.41 110.855 175.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.507 HG21 ' HG3' ' A' ' 47' ' ' LYS . 93.3 mt -64.11 -41.7 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.794 0.837 . . . . 60.04 111.661 176.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.45 -40.13 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 122.625 0.37 . . . . 74.34 110.539 174.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -61.14 -38.31 85.94 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.221 0.608 . . . . 70.21 111.794 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 84.4 mt -63.93 -43.85 94.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.939 0.496 . . . . 71.1 110.658 173.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 82.6 mtp -58.04 -33.61 69.18 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 123.835 0.854 . . . . 74.51 111.893 175.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -69.65 -52.63 24.11 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.499 0.72 . . . . 75.24 112.16 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.6 mm -70.07 -49.42 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.24 0.616 . . . . 73.45 111.776 -174.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.1 p -81.78 -38.19 26.0 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.521 0.728 . . . . 63.04 112.317 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.77 13.58 56.48 Favored Glycine 0 CA--C 1.537 1.413 0 CA-C-N 116.224 -0.444 . . . . 44.34 113.164 -172.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.3 mt -84.9 177.33 8.0 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.737 0.815 . . . . 63.23 112.768 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.9 p -101.54 153.06 20.06 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 114.949 -1.023 . . . . 74.13 110.008 173.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.507 ' HG3' HG21 ' A' ' 36' ' ' ILE . 37.2 ttmt -60.18 -24.77 65.04 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 123.653 0.781 . . . . 74.21 112.001 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.88 -47.61 53.9 Favored Glycine 0 C--N 1.353 1.487 0 CA-C-N 116.34 -0.391 . . . . 50.25 114.009 174.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -61.84 -35.46 78.33 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 123.148 0.579 . . . . 62.41 111.924 176.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.484 HG21 HG23 ' A' ' 36' ' ' ILE . 79.9 mt -68.97 -53.47 25.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 CA-C-N 115.217 -0.902 . . . . 74.13 111.221 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -57.45 -37.16 72.39 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.299 0.639 . . . . 64.52 112.095 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.25 -52.61 64.94 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.791 0.682 . . . . 71.51 110.707 173.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -59.56 -46.92 87.49 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.794 0.838 . . . . 73.05 112.685 -174.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.45 ' HZ ' ' HB3' ' A' ' 24' ' ' SER . 67.9 m-85 -64.74 -29.2 70.17 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 112.818 0.673 . . . . 73.14 112.818 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.5 m -68.63 -38.07 80.24 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 120.809 0.338 . . . . 72.22 110.674 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -67.04 -41.81 85.9 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.179 0.591 . . . . 61.33 111.132 174.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.483 ' HA ' ' HB3' ' A' ' 60' ' ' ASN . 19.5 m -73.34 -27.77 61.69 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.026 0.93 . . . . 73.32 111.822 -176.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -36.83 83.89 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 122.633 0.373 . . . . 64.32 110.585 175.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -77.88 -35.98 50.26 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 122.398 0.279 . . . . 74.11 111.438 171.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.483 ' HB3' ' HA ' ' A' ' 57' ' ' THR . 8.2 t30 -61.9 -27.24 68.67 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.468 0.707 . . . . 64.22 110.95 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -29.54 70.71 Favored 'General case' 0 CA--C 1.564 1.482 0 C-N-CA 124.829 1.252 . . . . 73.51 111.402 174.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.51 ' HB3' ' SG ' ' A' ' 69' ' ' CYS . 16.0 ptt180 -122.06 42.04 3.23 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 124.523 1.129 . . . . 72.14 111.193 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -61.42 -49.5 76.6 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.332 1.234 . . . . 74.25 114.332 -170.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.6 m -77.16 -49.54 14.96 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 123.011 0.524 . . . . 71.35 111.886 -174.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -67.29 -28.76 68.28 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.07 0.548 . . . . 74.1 111.643 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.9 m 72.89 -60.53 0.53 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 126.006 1.722 . . . . 74.3 113.35 172.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -84.31 -70.56 0.56 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.625 0.77 . . . . 71.43 111.723 -176.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -105.5 177.5 4.83 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 122.98 0.512 . . . . 65.13 111.946 -175.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 62' ' ' ARG . 70.8 m -127.58 159.65 33.99 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.835 0.854 . . . . 72.5 111.392 -178.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.2 pp -76.92 152.26 35.4 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 115.935 -0.575 . . . . 60.22 110.567 171.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.7 t60 57.92 38.68 27.01 Favored 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 123.924 0.89 . . . . 74.54 110.906 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.9 tp -65.58 127.7 32.95 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.987 0.915 . . . . 54.33 110.825 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -72.82 125.77 28.34 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.165 0.586 . . . . 64.23 111.772 -176.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 t30 . . . . . 0 CA--C 1.564 1.508 0 C-N-CA 123.911 0.884 . . . . 70.23 109.969 -179.85 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 120.7 0.286 . . . . 73.21 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -118.95 102.57 8.87 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 107.978 -1.119 . . . . 73.54 107.978 171.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.2 mtt 64.68 103.4 0.03 OUTLIER Pre-proline 0 N--CA 1.496 1.845 0 C-N-CA 125.149 1.38 . . . . 75.35 111.432 -174.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -69.14 125.16 12.12 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 122.605 2.203 . . . . 64.24 113.069 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.34 87.23 0.18 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.704 0.802 . . . . 42.2 110.63 175.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 m -92.03 68.31 5.24 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.858 -0.61 . . . . 65.34 109.883 -176.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -121.78 126.6 49.22 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.269 0.628 . . . . 75.11 111.2 -173.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.02 171.52 42.79 Favored Glycine 0 C--N 1.349 1.26 0 N-CA-C 114.292 0.477 . . . . 54.44 114.292 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -74.16 100.47 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 N-CA-C 108.029 -1.1 . . . . 71.32 108.029 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -120.94 -6.19 9.56 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 113.401 0.889 . . . . 73.25 113.401 -171.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.16 -159.57 0.27 Allowed 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.748 0.819 . . . . 64.2 111.698 -173.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -149.52 148.1 28.98 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.009 0.524 . . . . 53.11 110.708 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -69.45 99.41 1.23 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.145 0.978 . . . . 74.35 110.726 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 p -70.65 174.06 6.38 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.462 0.705 . . . . 55.15 111.163 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -65.28 -35.67 81.74 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.145 0.429 . . . . 54.12 111.899 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -72.23 -37.68 69.11 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.642 0.777 . . . . 74.2 111.532 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -70.39 -42.96 71.02 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.28 0.632 . . . . 70.23 111.023 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.8 -34.88 79.4 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.908 1.283 . . . . 72.43 110.569 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.11 90.43 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.668 0.787 . . . . 60.1 112.397 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -67.05 -40.69 87.17 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.003 0.521 . . . . 73.44 111.485 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.438 HD22 HG23 ' A' ' 50' ' ' ILE . 63.7 mt -66.69 -33.03 74.75 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.146 -0.934 . . . . 45.52 111.012 176.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.434 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 5.5 tmtt? -67.7 -49.9 60.33 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.213 1.005 . . . . 64.42 109.929 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.64 -38.93 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.699 0.8 . . . . 71.14 111.289 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.5 t -69.66 -26.26 64.3 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 115.751 -0.659 . . . . 51.24 111.737 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.451 ' HB2' ' HZ3' ' A' ' 53' ' ' TRP . 66.4 t80 -76.87 -34.43 57.8 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.551 0.74 . . . . 72.34 110.994 174.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 95.2 mt -65.29 -42.71 92.86 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.655 0.782 . . . . 72.41 111.496 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -70.28 -35.79 73.96 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 122.296 0.239 . . . . 75.33 111.327 176.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -167.43 128.24 1.49 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.565 0.746 . . . . 73.42 110.804 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -68.77 -25.66 64.83 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.114 0.566 . . . . 74.44 112.204 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -124.23 73.31 58.14 Favored Pre-proline 0 CA--C 1.559 1.294 0 C-N-CA 123.716 0.807 . . . . 74.54 109.873 177.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -72.97 151.97 51.06 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.225 1.95 . . . . 74.34 111.96 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -65.32 153.4 41.26 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.673 0.389 . . . . 74.24 111.034 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -66.08 -17.69 64.86 Favored 'General case' 0 CA--C 1.564 1.511 0 N-CA-C 112.653 0.612 . . . . 75.1 112.653 -173.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.1 m -67.31 -35.29 79.14 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.516 0.727 . . . . 73.32 111.631 172.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.64 -42.91 90.92 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.046 0.538 . . . . 73.12 110.031 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -58.65 -37.84 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 124.251 1.021 . . . . 75.35 112.184 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.456 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 36.7 mm -54.65 -50.34 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 C-N-CA 123.319 0.648 . . . . 60.44 111.126 173.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -66.24 -40.72 90.41 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.425 -0.807 . . . . 72.12 111.273 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.57 -37.55 86.64 Favored 'General case' 0 C--O 1.21 -1.017 0 C-N-CA 123.467 0.707 . . . . 72.22 111.353 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.456 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 68.4 mtm -61.85 -32.89 73.26 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 118.657 0.662 . . . . 61.34 111.872 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -73.49 -41.74 62.74 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.061 0.545 . . . . 75.22 111.595 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.8 mm -78.14 -45.14 27.3 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 C-N-CA 122.994 0.518 . . . . 75.45 111.563 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.9 p -77.44 -52.44 9.1 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.597 0.759 . . . . 62.3 111.452 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.42 -3.99 37.42 Favored Glycine 0 CA--C 1.538 1.496 0 CA-C-N 116.142 -0.481 . . . . 71.32 113.091 -171.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -75.5 173.96 10.29 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.848 0.859 . . . . 74.22 111.737 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.9 p -102.36 175.78 5.4 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.41 0.684 . . . . 75.45 112.235 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -55.49 -52.08 64.84 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 125.143 1.377 . . . . 64.35 112.356 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.46 -35.53 55.9 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-N 115.336 -0.847 . . . . 44.43 114.039 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -53.77 -53.03 57.94 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.65 0.78 . . . . 71.42 111.993 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.438 HG23 HD22 ' A' ' 21' ' ' LEU . 48.8 mt -64.53 -42.0 93.92 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 CA-C-N 115.625 -0.716 . . . . 74.42 111.956 -177.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -59.63 -42.03 91.81 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 111.763 0.282 . . . . 63.54 111.763 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -63.52 -31.91 73.21 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.443 0.697 . . . . 71.45 112.221 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.451 ' HZ3' ' HB2' ' A' ' 25' ' ' TYR . 77.3 t90 -68.6 -50.95 47.61 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 117.9 0.318 . . . . 64.12 110.704 177.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 74.4 m-85 -66.45 -36.18 82.14 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 122.654 0.382 . . . . 73.12 111.825 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 t -67.07 -49.89 63.61 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.087 0.555 . . . . 75.25 111.489 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -75.89 -45.97 32.58 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.113 -0.494 . . . . 54.11 112.082 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.45 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 91.7 m -59.08 -35.15 72.88 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.67 0.788 . . . . 74.23 111.548 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 2.6 tmm_? -54.97 -41.69 71.48 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 123.717 0.807 . . . . 72.2 110.742 174.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -76.68 -34.54 58.2 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-N 115.832 -0.622 . . . . 65.42 111.454 175.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -67.91 -24.19 65.18 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 123.035 0.534 . . . . 73.44 112.403 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 57' ' ' THR . 16.0 mm100 -70.71 -22.5 62.44 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.847 0.459 . . . . 73.11 111.436 173.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.8 -38.27 73.33 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.07 0.548 . . . . 73.32 110.917 171.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -87.06 128.61 35.1 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 109.7 -0.481 . . . . 60.22 109.7 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 82.6 p -65.62 -23.32 66.79 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.635 0.774 . . . . 72.31 112.603 -177.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -83.55 60.2 5.54 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.574 0.749 . . . . 63.23 111.98 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.3 m -83.9 93.27 7.99 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 121.204 0.526 . . . . 52.53 109.746 173.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -77.42 -13.13 59.99 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.489 0.716 . . . . 74.22 111.855 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -72.25 100.2 2.55 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 123.9 0.88 . . . . 74.4 111.582 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.4 t 66.63 -175.73 0.19 Allowed 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.108 1.363 . . . . 51.24 113.096 174.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.9 tm? 75.39 -70.41 0.15 Allowed 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 125.672 1.589 . . . . 71.14 111.723 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -65.89 117.79 8.77 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.467 0.707 . . . . 74.04 111.732 -174.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 pp -140.77 -179.98 6.37 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.668 0.787 . . . . 63.54 112.197 -176.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -123.55 143.41 50.22 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.324 1.05 . . . . 64.01 109.863 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.5 t30 . . . . . 0 CA--C 1.567 1.614 0 C-N-CA 123.721 0.809 . . . . 64.32 111.063 178.11 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.9 m . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 110.608 -0.145 . . . . 71.13 110.608 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -69.25 135.16 50.11 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.115 0.566 . . . . 74.22 111.877 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.0 ptp -143.75 129.29 9.87 Favored Pre-proline 0 CA--C 1.559 1.319 0 C-N-CA 123.533 0.733 . . . . 71.32 109.876 172.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.43 164.83 6.56 Favored 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 123.172 2.582 . . . . 62.3 114.848 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 71.75 134.1 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 125.962 1.705 . . . . 72.25 113.076 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -75.81 120.21 20.86 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.714 -0.676 . . . . 74.43 109.871 172.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -71.51 87.67 0.9 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.723 0.809 . . . . 73.5 112.132 -172.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.93 -69.97 0.99 Allowed Glycine 0 CA--C 1.546 2.026 0 N-CA-C 116.48 1.352 . . . . 13.54 116.48 166.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.514 ' H ' HD12 ' A' ' 9' ' ' ILE . 3.7 mp -73.25 95.38 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 124.243 1.017 . . . . 62.4 112.198 -168.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.4 ttp-105 -99.11 -5.58 29.94 Favored 'General case' 0 CA--C 1.568 1.654 0 CA-C-N 115.798 -0.637 . . . . 64.03 109.43 158.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 72.62 -73.22 0.1 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.886 1.674 . . . . 64.15 114.147 170.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -67.55 113.42 5.36 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.445 0.698 . . . . 75.04 112.614 -170.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -122.59 115.79 22.75 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.218 1.007 . . . . 73.35 108.451 171.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.6 p -75.78 166.23 23.84 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 112.069 0.396 . . . . 73.53 112.069 -176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -63.07 -50.59 69.98 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.93 0.715 . . . . 70.24 112.93 -169.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 1.2 pm0 -62.21 -27.37 68.93 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 112.576 0.584 . . . . 64.43 112.576 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.87 -50.74 61.53 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.212 0.53 . . . . 65.45 110.887 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.469 HD22 ' HE1' ' A' ' 53' ' ' TRP . 92.8 mt -63.95 -30.88 71.92 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 115.672 -0.695 . . . . 70.42 112.084 177.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.43 -47.21 82.83 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.951 0.9 . . . . 61.44 111.995 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.528 ' HG3' HG22 ' A' ' 42' ' ' ILE . 18.7 mm-40 -63.85 -38.74 92.21 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.062 0.545 . . . . 75.12 111.268 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.47 HD11 HD12 ' A' ' 45' ' ' LEU . 98.5 mt -64.57 -37.21 86.78 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 115.227 -0.897 . . . . 70.35 111.538 176.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -72.86 -34.2 66.59 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 112.732 0.642 . . . . 74.31 112.732 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.3 -42.52 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-O 121.273 0.559 . . . . 71.42 110.112 172.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 t -64.24 -37.32 87.07 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 115.26 -0.882 . . . . 73.33 111.447 173.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.449 ' OH ' ' HA ' ' A' ' 58' ' ' ARG . 85.2 t80 -69.19 -47.93 63.53 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.613 0.765 . . . . 74.31 112.534 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.38 -34.1 76.06 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.079 0.552 . . . . 72.43 111.517 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -74.73 -47.87 28.95 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 123.709 0.804 . . . . 61.0 111.015 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -146.59 105.37 3.84 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.666 1.186 . . . . 72.04 110.664 -174.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -71.15 -24.08 62.19 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.279 0.632 . . . . 73.15 110.791 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -126.86 92.29 44.97 Favored Pre-proline 0 CA--C 1.564 1.514 0 C-N-CA 124.5 1.12 . . . . 74.33 109.429 178.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -87.96 169.73 6.37 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 123.197 2.598 . . . . 62.54 114.327 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -82.98 169.23 16.21 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.808 0.843 . . . . 71.34 111.535 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.87 -45.79 90.91 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.53 0.732 . . . . 73.11 112.059 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.0 t -62.34 -32.2 72.94 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.918 0.887 . . . . 41.32 112.353 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -62.26 -47.93 82.16 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.102 0.561 . . . . 62.22 110.864 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.458 ' O ' ' HG3' ' A' ' 40' ' ' MET . 66.2 mt -63.39 -38.01 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 CA-C-N 115.105 -0.952 . . . . 75.23 111.534 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.8 -46.24 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 123.138 0.575 . . . . 73.51 111.315 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.407 ' O ' HG12 ' A' ' 42' ' ' ILE . 54.9 ttt180 -58.76 -49.52 77.35 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.709 -0.678 . . . . 73.15 110.91 173.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.54 -31.15 67.67 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.683 0.793 . . . . 71.43 112.569 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 52.7 mtm -62.82 -40.7 98.2 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 120.878 0.37 . . . . 74.12 111.267 175.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -77.23 -32.29 55.69 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.337 0.655 . . . . 72.4 112.249 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.528 HG22 ' HG3' ' A' ' 20' ' ' GLU . 45.6 mm -76.56 -39.25 32.51 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.134 0 C-N-CA 122.957 0.503 . . . . 72.01 110.732 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.7 p -90.65 -61.62 1.63 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.644 0.378 . . . . 74.13 111.333 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.66 -3.91 8.66 Favored Glycine 0 N--CA 1.481 1.639 0 C-N-CA 123.309 0.48 . . . . 45.11 112.744 -172.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.47 HD12 HD11 ' A' ' 21' ' ' LEU . 85.5 mt -85.43 172.58 10.92 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.843 0.857 . . . . 72.24 112.089 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.7 p -96.57 163.58 12.97 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.498 0.719 . . . . 75.21 111.024 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -57.98 -40.36 80.47 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.793 0.837 . . . . 60.44 112.164 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.19 -42.05 99.72 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-N 116.487 -0.324 . . . . 71.14 113.457 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -65.23 -41.36 94.48 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.232 0.613 . . . . 72.25 111.819 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.2 mt -74.03 -43.28 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.234 0.613 . . . . 73.41 112.005 -174.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -60.31 -45.1 94.57 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 122.662 0.385 . . . . 43.14 111.03 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -62.1 -39.97 94.28 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.695 -0.684 . . . . 53.11 111.101 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.469 ' HE1' HD22 ' A' ' 18' ' ' LEU . 85.9 t90 -57.98 -48.19 80.75 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 122.734 0.414 . . . . 74.45 111.134 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 52.9 m-85 -59.34 -31.01 68.8 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 122.99 0.516 . . . . 75.45 112.114 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 t -70.26 -53.72 15.72 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.407 0.683 . . . . 20.53 111.718 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.82 -35.87 81.9 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.849 0.86 . . . . 71.02 112.69 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.9 m -75.16 -27.75 59.84 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.523 0.729 . . . . 63.23 110.88 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -68.88 -38.42 79.67 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.065 0.546 . . . . 63.54 110.116 170.754 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -64.63 -38.38 90.81 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.558 -0.747 . . . . 63.3 110.896 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -57.36 -37.66 72.94 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 123.718 0.807 . . . . 71.14 112.474 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -72.96 -34.89 66.78 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 112.532 0.568 . . . . 74.32 112.532 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -89.83 0.67 56.89 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 122.716 0.406 . . . . 73.12 111.808 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -95.24 -30.6 13.9 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.736 0.815 . . . . 62.33 110.481 172.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.8 p -66.6 134.88 53.23 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.223 0.609 . . . . 62.5 110.671 177.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -55.02 -45.39 75.13 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.255 1.022 . . . . 73.33 112.876 -174.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m 65.05 172.62 0.21 Allowed 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.824 1.249 . . . . 71.22 112.873 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -146.27 112.33 5.74 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.718 0.407 . . . . 74.34 111.034 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -85.11 98.53 10.49 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.067 0.547 . . . . 73.34 109.746 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.02 -55.76 5.03 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.941 0.496 . . . . 74.01 111.242 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.73 115.9 9.5 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.256 0.623 . . . . 62.13 110.056 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -109.02 100.5 9.68 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.53 0.732 . . . . 70.21 110.76 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.32 176.19 9.32 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.216 0.606 . . . . 73.34 110.717 170.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -66.43 97.61 0.43 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.656 0.382 . . . . 53.22 110.438 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 CA--C 1.566 1.576 0 C-N-CA 123.634 0.773 . . . . 73.12 111.87 -178.473 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.5 m . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 120.636 0.255 . . . . 63.34 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -125.23 152.51 44.48 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.521 1.129 . . . . 74.32 109.056 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.1 mtm -64.16 134.76 96.06 Favored Pre-proline 0 CA--C 1.563 1.445 0 CA-C-O 118.96 -0.543 . . . . 75.04 110.496 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -53.39 105.91 0.14 Allowed 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.944 2.43 . . . . 71.22 114.064 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -77.87 77.74 4.38 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.391 0.676 . . . . 72.53 110.924 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -158.24 165.5 34.69 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.69 0.796 . . . . 71.52 110.99 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -84.75 -25.24 28.41 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.152 0.981 . . . . 75.32 111.614 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.43 54.06 37.16 Favored Glycine 0 C--N 1.357 1.695 0 CA-C-N 116.492 -0.322 . . . . 64.35 112.506 -174.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.49 99.56 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 124.227 1.011 . . . . 64.04 111.914 -168.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 61.54 -72.72 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 125.47 1.508 . . . . 74.01 111.734 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.97 92.38 0.37 Allowed 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.558 0.743 . . . . 34.34 110.39 171.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.0 ttmp? -116.82 151.8 35.75 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.541 1.136 . . . . 72.45 110.729 -174.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -128.14 86.1 2.43 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.071 0.548 . . . . 70.4 110.682 174.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.0 p -86.47 170.27 12.1 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 122.822 0.449 . . . . 62.45 110.073 169.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -62.4 -36.21 81.61 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.412 0.285 . . . . 74.03 110.279 174.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.05 -50.15 71.78 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.683 0.793 . . . . 53.51 112.082 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 92.8 mt-30 -66.07 -46.64 76.99 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.539 0.736 . . . . 64.23 111.457 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.95 -33.73 76.48 Favored 'General case' 0 CA--C 1.563 1.453 0 C-N-CA 124.573 1.149 . . . . 72.24 111.128 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -66.59 -40.84 89.09 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.467 0.707 . . . . 71.33 112.551 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -65.49 -35.72 81.74 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 121.223 0.535 . . . . 64.51 111.566 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.535 HD22 HG23 ' A' ' 50' ' ' ILE . 71.7 mt -64.46 -34.84 79.14 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 115.59 -0.732 . . . . 64.44 110.995 174.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -67.82 -39.9 83.86 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.258 0.623 . . . . 72.51 111.991 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 19' ' ' ALA . 94.0 t -57.39 -35.0 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 122.918 0.487 . . . . 73.2 111.331 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.7 t -74.74 -50.03 18.9 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.816 0.446 . . . . 72.33 111.757 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' HB2' ' HZ3' ' A' ' 53' ' ' TRP . 57.1 t80 -59.39 -36.54 76.01 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.526 1.13 . . . . 75.35 112.973 -173.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.18 -17.5 61.93 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.635 0.774 . . . . 72.3 113.034 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -89.07 -57.32 2.94 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 109.504 -0.554 . . . . 65.55 109.504 166.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -145.97 137.69 25.02 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.297 0.639 . . . . 72.23 110.348 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -72.12 -34.64 68.73 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.813 0.445 . . . . 73.33 110.932 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.558 ' HE1' ' HD3' ' A' ' 58' ' ' ARG . 89.1 m-85 -131.94 87.33 44.93 Favored Pre-proline 0 CA--C 1.558 1.281 0 C-N-CA 123.701 0.8 . . . . 75.54 110.336 177.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -80.29 -174.69 2.36 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 123.186 2.591 . . . . 75.34 113.107 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -68.18 157.71 34.81 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.672 0.389 . . . . 74.3 111.418 174.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.446 ' O ' HG13 ' A' ' 37' ' ' ILE . 9.4 p-10 -63.1 -28.06 69.81 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 112.427 0.529 . . . . 75.11 112.427 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.2 p -63.57 -39.09 93.5 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.639 0.776 . . . . 71.5 112.302 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -65.45 -36.19 83.17 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.766 0.826 . . . . 71.21 110.75 176.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -68.79 -33.89 61.79 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 CA-C-N 115.041 -0.982 . . . . 71.02 111.213 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 33' ' ' ASP . 84.3 mt -67.42 -35.45 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 123.063 0.545 . . . . 73.22 110.851 174.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -57.06 -45.93 82.86 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 122.917 0.487 . . . . 63.54 110.538 170.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.442 ' HB2' HD13 ' A' ' 50' ' ' ILE . 64.7 mt -63.84 -38.45 91.15 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 115.737 -0.665 . . . . 75.04 111.261 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.6 mtp -62.13 -35.9 80.16 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 123.596 0.758 . . . . 63.33 111.97 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -72.16 -23.12 61.24 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.503 0.721 . . . . 72.04 112.864 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.9 mm -100.7 -38.18 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 122.635 0.374 . . . . 63.34 111.579 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.1 p -85.65 -29.77 23.76 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.604 0.762 . . . . 73.4 111.751 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.46 8.44 87.76 Favored Glycine 0 CA--C 1.541 1.706 0 CA-C-N 116.525 -0.307 . . . . 73.14 113.536 -173.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -90.68 -175.25 4.35 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.939 0.896 . . . . 71.04 111.149 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.8 p -109.04 172.5 6.81 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.555 0.342 . . . . 74.42 110.166 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -54.76 -34.43 62.56 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.552 0.741 . . . . 72.42 111.558 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.21 -47.8 89.07 Favored Glycine 0 CA--C 1.539 1.573 0 N-CA-C 114.932 0.733 . . . . 41.24 114.932 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -66.58 -35.22 79.69 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 117.429 0.615 . . . . 75.1 111.639 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.535 HG23 HD22 ' A' ' 21' ' ' LEU . 69.0 mt -74.17 -42.46 51.48 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 CA-C-N 115.457 -0.792 . . . . 74.33 111.74 -177.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -66.34 -41.31 89.77 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.42 0.688 . . . . 74.45 111.263 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -57.91 -41.05 81.86 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.355 0.662 . . . . 62.35 111.106 172.55 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.422 ' HZ3' ' HB2' ' A' ' 25' ' ' TYR . 80.1 t90 -65.28 -48.25 73.81 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.281 -0.418 . . . . 64.44 111.102 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -56.13 -43.01 77.81 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.163 0.585 . . . . 74.02 111.97 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -68.6 -51.21 44.97 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.53 0.732 . . . . 62.31 112.13 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.54 -27.33 67.67 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.629 0.771 . . . . 64.5 112.754 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.402 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 86.6 m -72.38 -28.31 62.93 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 122.768 0.427 . . . . 74.33 111.289 175.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.558 ' HD3' ' HE1' ' A' ' 30' ' ' PHE . 56.2 mtm180 -64.61 -39.72 94.23 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.915 -0.491 . . . . 74.44 110.776 170.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.501 ' HA ' ' HG2' ' A' ' 62' ' ' ARG . 88.6 t80 -64.23 -38.66 91.84 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.924 -0.58 . . . . 73.24 110.676 172.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -64.35 -24.55 67.68 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 123.961 0.904 . . . . 63.51 111.276 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 57' ' ' THR . 17.8 mm-40 -81.83 -45.35 15.66 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.478 0.711 . . . . 70.0 112.348 176.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 59' ' ' TYR . 8.5 ptm180 -71.58 -28.3 63.74 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 122.091 -0.381 . . . . 63.23 111.989 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -107.08 45.66 0.97 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 124.268 1.027 . . . . 63.42 109.042 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.8 p -84.44 53.96 2.83 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.638 0.775 . . . . 45.5 112.02 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -160.84 123.93 3.31 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.884 1.274 . . . . 63.33 107.651 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.2 m 58.21 30.23 19.13 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 122.078 0.942 . . . . 65.52 110.306 -166.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -78.23 102.09 7.43 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.123 -1.399 . . . . 72.21 111.606 -167.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -159.02 174.01 15.59 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.926 0.89 . . . . 61.0 110.403 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 82.2 m -74.63 89.52 2.23 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 121.225 0.536 . . . . 64.43 110.769 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.1 mt -76.43 166.87 22.81 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 115.686 -0.688 . . . . 71.04 111.413 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -123.92 159.29 30.04 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.147 0.579 . . . . 64.53 112.194 -173.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -127.91 89.26 2.9 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.204 1.002 . . . . 73.31 108.946 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.36 102.05 2.52 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 116.103 -0.499 . . . . 53.45 110.658 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.9 m120 . . . . . 0 CA--C 1.565 1.526 0 C-N-CA 123.712 0.805 . . . . 74.41 110.567 -178.854 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 120.49 0.186 . . . . 63.34 111.441 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -137.24 110.6 7.91 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 108.227 -1.027 . . . . 72.13 108.227 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.0 mtt 71.46 151.28 0.14 Allowed Pre-proline 0 N--CA 1.497 1.878 0 C-N-CA 124.913 1.285 . . . . 75.31 110.598 -162.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.02 92.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.385 2.475 0 C-N-CA 122.709 2.273 . . . . 50.13 114.08 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -75.95 136.1 40.05 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.68 0.792 . . . . 74.32 111.589 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 m 58.22 38.44 26.2 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.145 0.978 . . . . 63.44 111.588 -175.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -62.2 95.35 0.06 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.971 0.909 . . . . 63.0 111.81 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.83 153.64 10.28 Favored Glycine 0 C--N 1.349 1.256 0 CA-C-N 116.172 -0.467 . . . . 71.2 112.902 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.4 mm -75.26 114.96 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.272 0 C-N-CA 123.18 0.592 . . . . 71.12 110.604 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.27 31.63 5.08 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 125.021 1.328 . . . . 75.01 112.133 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.81 68.41 9.92 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.18 0.592 . . . . 62.15 111.494 176.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -165.38 129.35 2.33 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.786 0.835 . . . . 74.34 110.915 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 53' ' ' TRP . 55.9 mttp -108.94 130.6 55.46 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.64 0.776 . . . . 74.21 110.323 173.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.7 p -81.98 162.92 22.48 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.631 0.372 . . . . 60.12 110.466 174.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.69 -30.75 70.12 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.14 0.576 . . . . 62.11 111.494 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.53 -49.77 61.79 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.032 0.933 . . . . 70.23 110.406 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -63.72 -40.67 97.33 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.706 0.803 . . . . 74.33 111.915 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.37 -37.77 86.04 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.504 1.122 . . . . 71.43 110.954 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.59 84.2 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.276 0.63 . . . . 75.42 112.345 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -62.04 -41.43 98.11 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.321 0.582 . . . . 73.22 110.841 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.68 -34.59 75.94 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 115.11 -0.95 . . . . 74.34 111.433 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -67.8 -43.82 78.8 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.343 0.657 . . . . 71.2 112.232 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.15 -38.58 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 122.617 0.367 . . . . 75.32 110.786 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.9 t -65.12 -35.98 82.82 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.113 0.565 . . . . 72.1 111.414 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -68.42 -41.13 80.82 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.53 0.732 . . . . 73.13 111.666 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.1 -37.67 83.59 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.437 0.695 . . . . 71.13 111.707 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -74.68 -41.59 59.98 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.888 0.475 . . . . 75.22 111.771 175.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -159.65 126.83 4.62 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 122.673 0.389 . . . . 72.22 111.339 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -73.64 -19.54 60.82 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.28 0.632 . . . . 74.12 112.289 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -117.59 80.89 13.86 Favored Pre-proline 0 CA--C 1.558 1.279 0 C-N-CA 123.872 0.869 . . . . 73.42 110.793 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.94 131.99 20.62 Favored 'Trans proline' 0 C--N 1.374 1.919 0 C-N-CA 122.096 1.864 . . . . 53.12 111.545 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -70.99 142.46 50.97 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.968 0.507 . . . . 73.35 110.496 177.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.22 -27.11 43.83 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.996 1.11 . . . . 75.21 113.996 -174.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.3 p -65.58 -48.71 71.43 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.473 0.709 . . . . 72.01 111.318 171.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 38' ' ' ARG . 43.4 tt0 -67.52 -26.03 66.13 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.098 0.959 . . . . 72.15 111.971 175.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.627 HD13 ' HG2' ' A' ' 51' ' ' LYS . 93.1 mt -69.71 -33.98 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 122.81 0.444 . . . . 72.54 110.518 175.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.12 -35.21 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 122.513 0.325 . . . . 63.53 110.501 171.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.428 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 56.3 ttt85 -59.28 -50.98 71.9 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 122.725 0.41 . . . . 65.01 110.462 170.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.32 -25.53 68.08 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.496 0.718 . . . . 75.34 112.383 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 86.5 mtp -70.57 -32.95 70.55 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.042 0.537 . . . . 61.2 110.906 174.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -81.04 -24.35 37.94 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.274 0.629 . . . . 71.31 112.029 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.0 mm -83.75 -57.6 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.385 0.674 . . . . 71.31 111.095 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -80.77 -34.07 34.48 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 112.514 0.561 . . . . 72.52 112.514 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.91 12.87 78.97 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 116.869 -0.151 . . . . 73.24 113.364 -174.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.7 mt -88.92 164.24 15.23 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.558 0.743 . . . . 73.55 110.515 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.5 p -79.01 161.87 26.32 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.643 0.377 . . . . 62.0 111.111 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -55.47 -41.72 73.36 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.231 0.612 . . . . 74.12 111.18 172.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.91 -37.64 94.94 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 116.057 -0.52 . . . . 53.24 113.743 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -71.92 -44.15 64.12 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 117.167 0.484 . . . . 72.12 111.701 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.3 mt -65.1 -52.27 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 123.27 0.628 . . . . 71.11 111.792 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.627 ' HG2' HD13 ' A' ' 36' ' ' ILE . 35.8 mtpt -62.12 -42.51 99.31 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 112.22 0.452 . . . . 62.23 112.22 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -66.49 -31.89 72.91 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 123.076 0.55 . . . . 71.31 110.956 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.428 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 76.7 t90 -62.57 -49.88 73.51 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.949 0.5 . . . . 74.51 110.138 172.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -64.55 -34.63 78.68 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.334 0.654 . . . . 72.45 111.586 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 m -67.58 -39.68 84.87 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.323 0.649 . . . . 74.54 111.103 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.26 -47.26 74.28 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.833 0.453 . . . . 73.54 110.73 175.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.2 m -63.75 -33.01 74.71 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 123.561 0.744 . . . . 73.3 111.171 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -72.72 -36.15 67.72 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.588 0.755 . . . . 72.34 111.786 170.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -60.23 -44.86 94.86 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.441 0.697 . . . . 75.01 110.977 173.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -59.32 -32.16 69.82 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.129 0.572 . . . . 73.31 111.582 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -60.05 -36.95 78.43 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.42 0.688 . . . . 74.5 112.259 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -62.11 -52.07 65.37 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.184 0.594 . . . . 75.34 111.109 176.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -100.97 18.44 19.65 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 115.41 -0.814 . . . . 71.14 112.779 -172.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.5 t -74.75 82.32 2.1 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.206 0.527 . . . . 44.23 111.699 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.81 177.44 4.67 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.755 0.822 . . . . 53.15 110.046 174.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' A' ' 71' ' ' HIS . 45.5 t -59.17 -64.24 1.01 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.32 0.648 . . . . 72.25 111.661 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 55.79 -154.28 0.31 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.137 0.975 . . . . 62.44 110.665 -176.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -90.45 -42.14 11.04 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 121.8 -0.563 . . . . 74.31 110.883 169.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 90.2 m -141.91 90.56 2.28 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.402 0.681 . . . . 73.43 110.531 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.2 tp -154.8 -66.92 0.13 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 122.554 0.341 . . . . 73.35 111.077 177.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 66' ' ' SER . 86.4 t60 -78.59 91.2 4.57 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.503 -0.555 . . . . 60.34 109.503 171.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 tt -86.05 93.47 8.99 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 109.618 -0.512 . . . . 71.4 109.618 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -94.17 154.57 17.51 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.678 0.791 . . . . 70.53 110.968 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.3 t30 . . . . . 0 N--CA 1.489 1.502 0 C-N-CA 123.523 0.729 . . . . 73.21 110.325 -176.621 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 119.95 -0.071 . . . . 64.3 111.166 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -158.53 16.06 0.2 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 112.525 0.565 . . . . 72.53 112.525 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.2 ptp -153.23 86.63 4.03 Favored Pre-proline 0 CA--C 1.568 1.66 0 C-N-CA 123.093 0.557 . . . . 60.44 111.512 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -89.41 -167.92 0.3 Allowed 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 123.022 2.481 . . . . 74.04 113.249 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -71.09 87.04 0.76 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.944 0.498 . . . . 74.42 109.813 170.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 t -117.41 -79.89 0.6 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.121 0.568 . . . . 74.54 110.697 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 55.25 27.89 10.43 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.758 1.223 . . . . 74.42 113.287 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.42 -34.51 90.1 Favored Glycine 0 C--N 1.355 1.585 0 CA-C-N 116.323 -0.399 . . . . 65.02 112.552 174.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -103.28 104.42 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 N-CA-C 108.787 -0.819 . . . . 70.14 108.787 173.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -105.34 -2.12 24.3 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.521 0.728 . . . . 74.3 110.925 172.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.74 108.51 6.62 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.564 0.746 . . . . 52.13 110.986 177.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -85.28 10.27 12.99 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 124.159 0.984 . . . . 72.22 110.797 175.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -61.58 135.98 57.85 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.575 1.15 . . . . 72.22 110.858 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.1 p -68.71 154.2 42.38 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.475 0.31 . . . . 61.03 110.696 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.14 -25.87 65.83 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.881 0.472 . . . . 71.14 111.654 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -58.24 -50.69 72.68 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.45 1.1 . . . . 63.44 110.876 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 93.0 mt-30 -69.02 -50.41 48.96 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 114.618 -1.174 . . . . 74.13 110.944 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HG ' ' HE1' ' A' ' 53' ' ' TRP . 4.8 tt -59.12 -38.79 80.46 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 125.648 1.579 . . . . 71.24 111.719 -173.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.33 -38.7 78.32 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.41 0.684 . . . . 72.43 112.363 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -66.81 -34.14 77.16 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.042 0.449 . . . . 74.53 111.679 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.578 HD22 HG23 ' A' ' 50' ' ' ILE . 74.7 mt -66.07 -36.75 84.05 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.747 -0.66 . . . . 74.43 110.819 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 97.1 mttt -62.07 -38.08 87.44 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.153 0.581 . . . . 63.12 112.078 175.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.8 -42.63 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 123.066 0.546 . . . . 64.44 110.945 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.3 t -67.98 -38.09 82.29 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 115.707 -0.679 . . . . 71.15 111.584 175.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -64.03 -38.76 92.26 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.511 0.724 . . . . 75.31 111.933 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 98.1 mt -62.18 -27.36 68.91 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.48 0.712 . . . . 71.34 111.575 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -80.09 -50.57 10.15 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-O 121.349 0.595 . . . . 74.24 110.05 172.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.46 135.74 3.06 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 114.733 -1.122 . . . . 43.44 111.639 -170.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' NE2' ' HB2' ' A' ' 58' ' ' ARG . 64.2 tt0 -73.24 -31.88 64.39 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.884 0.85 . . . . 70.32 110.191 172.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -117.07 87.47 23.08 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.197 0.999 . . . . 71.41 108.804 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.59 178.09 5.45 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.859 2.373 . . . . 74.4 113.278 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -62.68 -79.35 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.793 0.837 . . . . 65.2 111.196 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -179.73 -52.15 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.579 1.152 . . . . 74.42 108.155 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.1 p -58.74 -40.72 84.62 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.701 1.201 . . . . 51.12 112.806 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.26 -41.0 83.32 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.4 0.68 . . . . 71.12 111.156 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.444 HG21 ' HG3' ' A' ' 47' ' ' LYS . 33.8 mt -70.85 -37.94 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 123.399 0.68 . . . . 75.12 111.099 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.5 mt -62.5 -41.52 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 C-N-CA 123.424 0.69 . . . . 71.52 110.967 175.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -58.39 -46.73 85.82 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.001 0.92 . . . . 70.44 110.761 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.4 -37.99 82.58 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.501 0.72 . . . . 71.24 111.744 175.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 49.4 mtm -59.83 -42.11 92.83 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-O 121.07 0.462 . . . . 70.43 111.515 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.03 -36.84 67.02 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 115.42 -0.809 . . . . 72.33 112.23 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.6 mm -74.2 -57.1 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 123.122 0.569 . . . . 64.0 111.41 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.0 p -76.91 -43.66 34.7 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.576 0.75 . . . . 71.45 112.422 -173.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.11 -2.9 37.94 Favored Glycine 0 N--CA 1.481 1.695 0 CA-C-N 116.446 -0.343 . . . . 73.12 113.163 -174.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 mt -80.9 162.29 24.0 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.943 0.897 . . . . 42.45 111.395 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.6 p -88.95 160.74 17.0 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 122.65 0.38 . . . . 74.24 110.549 173.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HG3' HG21 ' A' ' 36' ' ' ILE . 38.0 ttmt -55.99 -39.7 72.23 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.763 0.825 . . . . 73.51 111.461 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.61 -43.4 98.99 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 115.836 -0.62 . . . . 65.24 113.664 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.45 -39.28 91.86 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.694 0.798 . . . . 72.45 112.567 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.578 HG23 HD22 ' A' ' 21' ' ' LEU . 92.7 mt -67.85 -47.91 77.51 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.07 0 C-N-CA 123.708 0.803 . . . . 74.13 111.192 -178.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.525 ' HA ' ' HD2' ' A' ' 54' ' ' PHE . 7.3 mtpm? -70.27 -29.04 65.71 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.108 0.563 . . . . 73.24 111.699 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -63.89 -43.49 95.84 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.774 0.83 . . . . 62.35 110.665 171.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.406 ' HE1' ' HG ' ' A' ' 18' ' ' LEU . 89.5 t90 -61.36 -43.79 98.28 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 114.795 -1.093 . . . . 71.24 111.643 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.525 ' HD2' ' HA ' ' A' ' 51' ' ' LYS . 39.0 m-85 -55.34 -34.73 64.49 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 123.509 0.724 . . . . 62.45 112.781 -178.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.3 m -61.88 -48.34 80.94 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.688 0.795 . . . . 63.1 111.806 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -71.34 -29.21 64.72 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.316 0.646 . . . . 75.42 112.007 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.3 m -67.73 -31.71 71.82 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 113.1 0.778 . . . . 73.11 113.1 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.404 ' HB2' ' NE2' ' A' ' 29' ' ' GLN . 19.0 ttt180 -65.43 -36.71 84.73 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 118.649 0.658 . . . . 74.13 111.214 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.8 -55.83 29.4 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.568 0.747 . . . . 75.11 110.136 168.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -56.47 -30.84 63.4 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.823 1.249 . . . . 65.34 113.0 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -69.63 -54.15 15.31 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.47 1.108 . . . . 43.32 111.56 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -88.31 -9.59 52.32 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 122.962 0.505 . . . . 74.24 112.303 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -121.19 81.94 1.86 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.884 0.874 . . . . 71.21 109.279 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.0 p -99.72 -38.2 8.79 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 115.2 -0.909 . . . . 43.21 110.248 172.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -142.78 116.6 9.3 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.094 1.358 . . . . 72.03 110.113 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.7 m -72.09 94.86 1.56 Allowed 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.001 0.429 . . . . 71.31 110.66 174.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -95.41 169.58 9.96 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.12 0.968 . . . . 74.5 111.812 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -76.85 116.37 17.46 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.028 0.531 . . . . 72.24 110.75 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.5 t 67.38 86.85 0.13 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.925 1.29 . . . . 75.11 112.834 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.7 mp -73.84 158.21 34.95 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.421 0.689 . . . . 75.32 111.675 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -116.96 170.5 8.59 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.545 1.138 . . . . 70.21 110.23 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.6 tp -73.94 93.81 2.25 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.194 0.598 . . . . 74.54 110.654 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -103.8 145.16 30.5 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.694 0.798 . . . . 62.44 111.61 -177.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--O 1.257 1.497 0 N-CA-C 109.065 -0.717 . . . . 71.33 109.065 170.962 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.5 m . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.587 0.232 . . . . 70.03 111.183 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -151.82 148.32 27.69 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.238 0.615 . . . . 64.45 111.06 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.2 ttm -137.39 81.9 29.77 Favored Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 123.118 0.567 . . . . 75.4 109.755 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -94.8 121.14 0.31 Allowed 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 123.044 2.496 . . . . 73.05 113.148 175.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -84.89 32.19 0.53 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.478 -0.764 . . . . 74.01 111.738 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -58.64 123.73 17.32 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.022 1.329 . . . . 72.25 110.851 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.2 t80 62.41 90.06 0.08 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.59 1.156 . . . . 75.44 110.946 -167.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.15 36.71 0.03 OUTLIER Glycine 0 N--CA 1.476 1.303 0 N-CA-C 114.447 0.539 . . . . 71.22 114.447 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.4 mm -73.88 95.31 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-O 121.207 0.527 . . . . 74.23 109.852 174.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -156.09 -41.76 0.08 Allowed 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.138 0.975 . . . . 73.3 109.822 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.02 104.86 17.22 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.718 0.807 . . . . 55.43 109.217 170.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -74.61 160.48 30.79 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.312 0.645 . . . . 75.24 112.047 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.3 mttm 66.66 177.25 0.23 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 124.876 1.27 . . . . 74.34 111.705 -172.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.8 p -79.91 152.95 29.32 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.843 -0.536 . . . . 74.13 111.74 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -51.17 -47.58 62.12 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.516 1.126 . . . . 50.43 112.241 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -66.32 -45.97 78.46 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.225 0.61 . . . . 63.0 112.355 -174.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -60.33 -50.38 73.84 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.432 0.693 . . . . 53.42 112.094 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.76 -38.54 89.36 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.357 0.663 . . . . 61.4 110.451 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.87 89.72 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.485 0.714 . . . . 44.22 112.35 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -64.83 -33.19 75.4 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 111.91 0.337 . . . . 63.0 111.91 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.82 -38.74 80.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.052 0.541 . . . . 75.42 111.22 173.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -62.77 -45.08 94.34 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.291 0.636 . . . . 75.24 111.227 175.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.05 -41.93 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 123.424 0.69 . . . . 74.02 110.654 174.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -66.59 -27.97 68.14 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 116.042 -0.526 . . . . 71.15 112.108 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -72.96 -34.98 66.85 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.475 0.71 . . . . 74.44 110.776 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.56 -39.9 84.94 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.248 0.619 . . . . 62.21 110.77 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -65.71 -56.79 10.19 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.204 1.002 . . . . 70.4 111.614 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -153.01 125.37 8.12 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.211 1.005 . . . . 74.43 109.898 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -74.43 -20.41 60.05 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.62 0.768 . . . . 74.44 111.664 -172.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -136.18 81.58 37.82 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.629 0.771 . . . . 62.42 109.795 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.99 133.27 30.55 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.675 2.25 . . . . 74.24 111.787 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -68.73 -70.95 0.24 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.53 0.732 . . . . 64.23 111.606 -172.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.457 ' O ' HG12 ' A' ' 37' ' ' ILE . 1.1 p30 -159.32 -43.23 0.05 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.637 0.775 . . . . 73.12 111.522 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.4 t -58.52 -43.43 89.14 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 123.598 0.759 . . . . 72.25 112.571 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.24 -38.18 89.56 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 121.224 0.535 . . . . 75.13 110.551 175.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.526 HG21 ' HD2' ' A' ' 47' ' ' LYS . 54.2 mt -68.91 -31.43 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 C-N-CA 123.55 0.74 . . . . 74.42 111.402 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 33' ' ' ASP . 46.7 mm -57.81 -46.2 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 123.239 0.616 . . . . 74.45 110.161 175.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -56.99 -58.55 7.66 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.239 -0.891 . . . . 72.21 110.686 170.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.2 mt -55.53 -36.72 67.06 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.933 0.893 . . . . 71.13 113.071 -174.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 74.5 mtm -69.01 -40.68 78.54 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.873 0.469 . . . . 73.32 111.888 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -79.94 -25.93 40.26 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.771 0.428 . . . . 71.22 111.92 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.6 mm -81.74 -56.31 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 C-N-CA 123.534 0.733 . . . . 61.53 111.257 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.8 p -83.14 -38.79 21.92 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.806 0.443 . . . . 74.24 112.079 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.34 -22.68 28.52 Favored Glycine 0 N--CA 1.477 1.37 0 CA-C-N 116.127 -0.488 . . . . 41.13 112.572 -172.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.31 136.56 49.89 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.011 0.924 . . . . 74.03 111.581 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.6 p -82.94 177.54 8.58 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.941 1.089 . . . . 75.02 113.941 -170.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.526 ' HD2' HG21 ' A' ' 36' ' ' ILE . 24.4 tptm -54.86 -55.85 25.92 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.655 1.182 . . . . 74.2 112.604 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.13 -33.33 84.99 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-N 116.103 -0.498 . . . . 45.11 113.687 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -61.16 -47.61 85.38 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 124.133 0.973 . . . . 72.35 111.552 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.7 mt -68.83 -49.19 66.06 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 124.175 0.99 . . . . 70.13 111.273 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -55.9 -34.05 65.2 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.519 0.728 . . . . 64.23 112.476 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -65.03 -50.17 67.31 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.756 0.822 . . . . 75.41 110.25 174.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -57.42 -48.3 79.48 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.863 0.865 . . . . 75.31 112.632 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -61.81 -29.2 70.0 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.469 0.708 . . . . 75.34 112.779 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.4 m -66.48 -48.09 71.0 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 122.818 0.447 . . . . 63.52 111.279 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -71.97 -29.1 63.9 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.414 0.686 . . . . 73.41 112.046 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.0 m -73.61 -37.66 65.34 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.2 0.6 . . . . 64.33 111.036 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -58.63 -44.78 90.14 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.81 0.444 . . . . 73.24 110.779 170.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -58.43 -51.01 71.63 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.676 0.791 . . . . 72.24 111.774 174.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -65.09 -36.38 84.13 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.011 0.925 . . . . 63.3 111.631 -175.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -12.64 61.54 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.571 0.748 . . . . 64.03 111.443 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -129.55 18.63 5.77 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.399 0.68 . . . . 60.31 111.69 177.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -94.12 151.21 19.66 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.637 0.775 . . . . 64.33 110.256 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.9 m -75.62 6.32 4.96 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 113.852 1.056 . . . . 64.1 113.852 -175.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -87.73 92.47 9.12 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.082 0.553 . . . . 73.44 111.416 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.0 p -100.23 -34.11 10.15 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.789 0.836 . . . . 73.54 111.783 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -71.69 82.04 0.86 Allowed 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.631 0.772 . . . . 74.52 111.499 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.89 147.71 13.46 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.611 0.764 . . . . 72.02 109.476 -174.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 36.5 t 64.78 32.79 10.79 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.672 1.189 . . . . 65.44 112.701 175.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.42 -54.43 17.15 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.169 0.509 . . . . 62.45 110.063 173.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -107.7 118.18 36.06 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.516 0.726 . . . . 72.51 109.726 173.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.599 ' H ' HD23 ' A' ' 72' ' ' LEU . 2.4 pt? -108.74 -176.28 3.0 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.617 0.767 . . . . 65.02 110.781 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -70.35 92.91 0.82 Allowed 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 122.902 0.481 . . . . 43.24 110.087 173.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 . . . . . 0 CA--C 1.57 1.72 0 C-N-CA 123.643 0.777 . . . . 54.43 110.058 179.664 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 120.323 0.106 . . . . 35.35 111.097 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -81.36 87.92 6.13 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.376 0.671 . . . . 72.22 109.957 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.7 mtp -78.17 117.98 69.4 Favored Pre-proline 0 N--CA 1.487 1.379 0 C-N-CA 123.445 0.698 . . . . 71.2 112.144 -175.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -85.26 3.23 7.41 Favored 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 122.92 2.413 . . . . 72.12 113.209 173.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -88.43 96.89 10.78 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.795 0.838 . . . . 64.31 111.67 -174.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 m -130.75 88.24 2.59 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 108.871 -0.788 . . . . 73.35 108.871 170.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -121.61 -53.18 2.0 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.68 0.792 . . . . 70.23 111.076 -176.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.35 25.12 57.17 Favored Glycine 0 N--CA 1.481 1.634 0 N-CA-C 114.501 0.561 . . . . 50.52 114.501 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.7 mt -75.19 96.5 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 123.517 0.727 . . . . 71.31 111.016 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 64.17 89.75 0.09 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.639 1.175 . . . . 72.34 112.495 170.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.05 109.06 18.56 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.49 0.716 . . . . 60.12 111.288 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -60.97 129.4 41.24 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 110.219 -0.289 . . . . 74.3 110.219 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -67.54 106.77 2.26 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.204 0.602 . . . . 74.14 111.928 -172.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.8 p -76.08 -175.82 3.25 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.13 0.972 . . . . 55.1 111.88 -177.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -56.39 -61.07 2.66 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 124.13 0.972 . . . . 74.25 113.031 -169.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -26.53 46.65 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 112.24 0.459 . . . . 71.32 112.24 -175.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -66.66 -47.35 72.79 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.392 0.677 . . . . 72.12 111.125 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.53 HD22 ' HE3' ' A' ' 22' ' ' LYS . 3.0 tt -63.12 -38.03 89.57 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.434 1.094 . . . . 65.11 109.917 175.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.78 88.63 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.586 0.754 . . . . 71.32 112.451 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -69.49 -32.74 71.79 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.689 0.396 . . . . 72.34 112.04 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.99 -32.69 74.09 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.8 0.44 . . . . 73.43 110.976 173.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.53 ' HE3' HD22 ' A' ' 18' ' ' LEU . 99.0 mttt -64.22 -51.08 65.42 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.178 0.591 . . . . 71.01 110.998 174.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.9 t -59.24 -37.56 69.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 123.496 0.718 . . . . 73.5 110.821 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.9 t -69.26 -38.56 78.49 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.663 -0.699 . . . . 64.13 111.364 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CD1' ' HB3' ' A' ' 29' ' ' GLN . 89.3 t80 -61.89 -44.37 96.93 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.003 0.921 . . . . 64.5 111.406 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.27 -46.76 85.45 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.024 0.929 . . . . 61.33 112.486 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -79.95 -36.89 35.54 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.385 0.513 . . . . 73.33 112.385 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -164.85 100.44 0.78 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.971 0.509 . . . . 70.13 111.805 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 25' ' ' TYR . 5.8 pt20 -80.9 -3.14 50.36 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.707 0.632 . . . . 75.12 112.707 175.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -128.09 76.55 77.68 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 123.299 0.64 . . . . 73.24 110.989 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.65 149.64 21.1 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 122.562 2.175 . . . . 62.11 112.464 172.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -79.99 -71.32 0.46 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.278 0.631 . . . . 74.51 111.559 -173.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -155.4 -54.95 0.09 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.946 0.498 . . . . 75.21 109.917 -177.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.8 m -59.28 -46.12 89.39 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.886 0.874 . . . . 65.34 112.594 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.45 -30.76 71.79 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.665 0.786 . . . . 72.4 111.398 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.56 HG21 ' HG3' ' A' ' 47' ' ' LYS . 17.9 mt -72.64 -43.39 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.802 178.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.9 mt -65.39 -33.96 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 123.113 0.565 . . . . 74.11 110.879 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' O ' HG12 ' A' ' 42' ' ' ILE . 21.5 tpt180 -52.55 -55.63 20.84 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.436 0.694 . . . . 73.14 109.923 167.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -56.43 -43.1 79.09 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.757 0.823 . . . . 62.11 112.145 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mtp -60.86 -38.1 84.42 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.629 0.772 . . . . 71.33 112.138 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -86.19 -19.33 30.21 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 112.585 0.587 . . . . 74.22 112.585 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 38' ' ' ARG . 37.8 mm -78.4 -45.41 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 CA-C-O 121.544 0.688 . . . . 60.55 110.484 171.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.4 p -94.45 -55.26 3.22 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.038 0.935 . . . . 72.22 111.936 -170.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.65 22.87 6.17 Favored Glycine 0 N--CA 1.481 1.66 0 C-N-CA 123.091 0.377 . . . . 74.42 112.513 -172.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.8 mt -99.08 175.98 5.72 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.163 0.985 . . . . 62.31 111.886 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.6 p -102.1 155.55 18.12 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 116.031 -0.531 . . . . 73.12 110.771 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HG3' HG21 ' A' ' 36' ' ' ILE . 35.3 ttpt -58.92 -32.33 69.46 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.87 0.868 . . . . 75.32 112.701 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.51 -52.84 35.96 Favored Glycine 0 CA--C 1.54 1.628 0 CA-C-N 116.134 -0.484 . . . . 61.41 113.566 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.02 -33.78 75.0 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 123.622 0.769 . . . . 64.44 112.492 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.46 -46.02 84.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.178 0 C-N-CA 123.286 0.634 . . . . 72.22 111.357 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.75 -40.92 98.77 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 120.795 0.331 . . . . 74.43 111.753 175.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.5 -33.22 75.42 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.314 0.646 . . . . 75.31 111.595 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -64.28 -48.06 77.14 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.476 0.485 . . . . 74.5 110.334 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -60.53 -40.02 89.95 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.946 0.499 . . . . 70.23 111.56 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 t -64.35 -40.98 96.94 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.389 0.676 . . . . 74.45 111.791 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.21 -48.96 66.3 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.35 0.66 . . . . 52.42 111.013 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.5 m -59.14 -41.5 88.45 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.749 0.82 . . . . 41.34 111.104 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -52.31 -47.91 65.69 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.626 0.77 . . . . 72.04 111.863 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -57.13 -45.23 83.66 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.907 0.483 . . . . 75.45 111.457 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -75.34 -11.99 60.17 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 113.12 0.785 . . . . 73.01 113.12 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -91.93 -60.69 1.8 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.283 0.633 . . . . 72.11 111.33 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -68.53 -27.84 66.46 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 112.341 0.496 . . . . 72.4 112.341 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -117.2 88.03 2.82 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 108.713 -0.847 . . . . 74.21 108.713 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 79.7 p -67.53 112.46 4.71 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.764 0.826 . . . . 70.33 112.319 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -86.85 -82.47 0.21 Allowed 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 123.113 0.565 . . . . 74.45 109.971 172.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.5 p -178.32 -67.06 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.467 1.107 . . . . 55.43 109.778 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 59.05 103.44 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.523 1.529 . . . . 75.51 112.373 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -64.37 116.44 6.08 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.705 0.802 . . . . 72.34 110.653 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.7 p -66.1 154.34 39.88 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.13 0.572 . . . . 62.21 111.365 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.4 mp -83.2 43.33 0.87 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.286 0.635 . . . . 64.35 111.959 -173.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -64.38 106.46 1.12 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.915 0.886 . . . . 74.21 110.381 175.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.2 tp -129.61 116.6 19.12 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.29 1.036 . . . . 72.54 110.461 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -85.68 125.23 33.02 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.578 -0.527 . . . . 64.23 109.578 171.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 . . . . . 0 CA--C 1.565 1.521 0 C-N-CA 123.062 0.545 . . . . 52.34 111.364 -176.442 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 120.852 0.358 . . . . 74.52 110.966 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -117.19 98.33 6.39 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.735 0.814 . . . . 70.12 109.869 175.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.1 ttt -140.34 109.15 6.81 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 123.153 0.581 . . . . 63.53 110.241 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -71.99 87.15 0.87 Allowed 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 122.698 2.265 . . . . 75.52 111.468 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -148.49 -76.45 0.17 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.106 0.562 . . . . 74.23 110.612 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m 68.52 -65.41 0.27 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.496 1.518 . . . . 63.24 113.592 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.6 t80 66.85 -78.97 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 125.214 1.405 . . . . 74.13 111.87 -176.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 154.82 150.28 5.5 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 122.92 0.295 . . . . 73.51 112.918 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 mp -84.95 96.79 4.97 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 C-N-CA 123.413 0.685 . . . . 62.42 109.238 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -85.64 -34.68 21.3 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.875 0.87 . . . . 75.23 111.181 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.43 87.48 5.06 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.464 0.705 . . . . 33.23 110.894 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -160.77 -42.59 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.727 0.811 . . . . 64.32 109.97 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HE2' ' HB2' ' A' ' 53' ' ' TRP . 39.5 mmtm -81.28 110.71 17.0 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 115.858 -0.61 . . . . 53.42 110.324 172.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.8 p -79.54 159.83 26.73 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 109.766 -0.457 . . . . 72.23 109.766 175.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -64.45 -36.28 83.65 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.655 0.613 . . . . 74.01 112.655 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.99 -35.84 64.47 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 112.551 0.574 . . . . 62.24 112.551 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -65.65 -47.35 75.86 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-O 121.197 0.522 . . . . 61.22 110.477 171.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.75 ' HG ' ' HE1' ' A' ' 53' ' ' TRP . 5.1 tt -56.83 -38.68 72.97 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.531 1.532 . . . . 73.45 110.881 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.27 -45.5 93.1 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.285 1.034 . . . . 65.22 112.697 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -67.17 -35.67 80.16 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.37 0.668 . . . . 74.53 112.036 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.532 HD22 HG23 ' A' ' 50' ' ' ILE . 56.8 mt -69.38 -34.96 75.32 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.402 -0.817 . . . . 70.45 111.245 176.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -58.85 -41.67 87.51 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.683 0.793 . . . . 62.01 111.4 174.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.3 t -55.65 -38.64 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 123.623 0.769 . . . . 65.1 111.599 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 t -72.46 -46.45 54.87 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.103 0.561 . . . . 41.15 111.629 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -59.78 -39.69 85.75 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.183 0.993 . . . . 74.33 112.395 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.42 -31.96 73.39 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.613 0.765 . . . . 73.12 112.013 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -75.41 -47.77 25.88 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.031 0.533 . . . . 71.2 110.245 171.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -171.83 142.12 1.48 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.759 0.823 . . . . 71.52 110.807 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.546 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 62.6 tt0 -65.94 -25.99 67.38 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.366 0.667 . . . . 64.45 111.704 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -117.19 80.36 11.96 Favored Pre-proline 0 CA--C 1.563 1.478 0 C-N-CA 123.685 0.794 . . . . 64.33 110.215 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -82.33 -175.65 2.6 Favored 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 122.759 2.306 . . . . 72.31 113.813 -172.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -60.81 154.25 22.4 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.082 0.553 . . . . 63.11 112.33 172.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.46 -48.41 81.24 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.585 0.754 . . . . 74.54 110.289 174.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.4 m -63.17 -28.85 70.33 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.109 -0.951 . . . . 65.34 112.501 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.16 -47.87 75.51 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.275 0.63 . . . . 72.12 111.193 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.488 HD13 ' HD3' ' A' ' 51' ' ' LYS . 25.0 mt -60.5 -40.42 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 123.317 0.647 . . . . 62.21 110.674 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.413 HG22 ' HE2' ' A' ' 41' ' ' LYS . 75.5 mt -64.45 -40.07 87.77 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 C-N-CA 123.665 0.786 . . . . 62.12 111.559 175.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -61.79 -42.03 98.48 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.537 0.735 . . . . 63.54 109.885 176.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.62 -34.6 78.6 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.539 0.736 . . . . 74.5 111.561 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.3 mtm -61.26 -38.34 86.35 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 120.998 0.428 . . . . 75.35 111.315 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HE2' HG22 ' A' ' 37' ' ' ILE . 67.0 mttm -72.1 -32.92 67.44 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.724 0.81 . . . . 74.44 112.479 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.0 mm -82.86 -60.56 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 123.101 0.56 . . . . 71.41 111.304 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.2 p -70.83 -43.07 69.3 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.825 0.85 . . . . 73.24 112.432 -173.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.99 20.99 31.7 Favored Glycine 0 CA--C 1.536 1.402 0 CA-C-N 116.298 -0.41 . . . . 61.32 112.997 -171.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -101.4 163.47 12.25 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.16 0.984 . . . . 73.43 110.5 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -88.25 161.99 16.88 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.743 0.417 . . . . 50.02 111.408 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.6 -50.82 71.87 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.589 1.155 . . . . 65.32 112.619 -172.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.65 -32.38 81.26 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 115.611 -0.722 . . . . 52.33 113.846 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -64.99 -39.77 93.96 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.799 0.84 . . . . 70.3 111.056 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.532 HG23 HD22 ' A' ' 21' ' ' LEU . 94.1 mt -67.3 -42.44 87.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.094 0 CA-C-N 114.839 -1.073 . . . . 71.23 110.952 174.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HD3' HD13 ' A' ' 36' ' ' ILE . 4.5 mmmp? -61.34 -39.89 92.23 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.49 0.716 . . . . 44.5 112.361 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -65.37 -38.98 91.7 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.846 0.458 . . . . 75.12 111.099 175.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.75 ' HE1' ' HG ' ' A' ' 18' ' ' LEU . 91.3 t90 -54.21 -46.18 72.43 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.918 0.887 . . . . 73.45 112.333 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.546 ' HB3' ' HG3' ' A' ' 29' ' ' GLN . 69.5 m-85 -55.73 -35.12 65.8 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.4 0.68 . . . . 65.03 112.119 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.4 t -70.53 -48.82 53.64 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.683 0.793 . . . . 60.14 111.945 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -65.45 -37.62 87.42 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.109 0.564 . . . . 74.45 111.803 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.1 m -65.82 -36.0 82.27 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.352 1.061 . . . . 75.25 112.632 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -61.11 -38.11 85.18 Favored 'General case' 0 CA--C 1.561 1.381 0 CA-C-O 121.185 0.517 . . . . 73.31 111.309 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -77.5 -35.56 53.45 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 124.043 0.937 . . . . 55.13 111.404 172.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -58.7 -48.65 80.41 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.906 0.882 . . . . 65.32 112.047 -176.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -64.52 -21.58 66.72 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 113.711 1.004 . . . . 74.24 113.711 -174.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -100.07 -5.9 27.24 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 112.19 0.441 . . . . 73.31 112.19 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -134.5 26.8 3.75 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 123.584 0.754 . . . . 75.15 111.403 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.9 t -74.57 92.28 2.38 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.288 0.635 . . . . 33.15 111.799 -175.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -94.55 73.34 3.74 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.87 0.843 . . . . 71.01 109.173 173.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 67.3 p -83.13 77.41 9.76 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.474 -0.785 . . . . 72.22 111.135 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -120.56 105.61 10.98 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.63 -0.714 . . . . 61.2 109.667 174.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -73.35 -157.87 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.444 0.697 . . . . 74.33 111.408 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.74 82.02 0.44 Allowed 'General case' 0 CA--C 1.557 1.222 0 CA-C-O 121.631 0.729 . . . . 74.0 110.255 171.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.9 tt -68.05 -36.77 80.44 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.61 1.164 . . . . 74.2 111.822 -170.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -93.2 1.66 57.0 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.47 0.708 . . . . 72.41 111.802 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.2 tp -98.92 116.82 32.02 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.535 0.734 . . . . 62.42 111.28 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -94.83 92.8 7.12 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.234 1.014 . . . . 73.33 111.084 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 m120 . . . . . 0 N--CA 1.492 1.67 0 C-N-CA 123.429 0.691 . . . . 72.11 110.984 176.037 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 120.541 0.21 . . . . 54.13 111.085 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -76.5 88.66 3.24 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.353 0.661 . . . . 73.21 111.81 -176.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.1 mtp -133.33 107.15 12.18 Favored Pre-proline 0 N--CA 1.484 1.242 0 C-N-CA 124.221 1.008 . . . . 70.34 109.817 174.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -83.1 13.54 2.62 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.883 2.389 . . . . 74.22 113.386 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.74 142.44 57.39 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 124.432 1.093 . . . . 75.14 112.696 -176.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -140.04 -163.46 1.51 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.803 1.241 . . . . 75.25 108.513 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -65.74 87.78 0.09 Allowed 'General case' 0 CA--C 1.561 1.377 0 N-CA-C 109.293 -0.632 . . . . 72.4 109.293 171.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.66 -22.42 26.28 Favored Glycine 0 N--CA 1.476 1.313 0 CA-C-N 115.734 -0.666 . . . . 53.14 114.113 -174.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.89 122.14 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 123.524 0.729 . . . . 74.32 110.05 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.768 ' HA ' ' HD3' ' A' ' 15' ' ' LYS . 31.7 ttt180 -77.79 -41.47 37.23 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.809 0.844 . . . . 73.41 111.097 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.79 -159.85 0.3 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.726 1.211 . . . . 44.45 111.522 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -80.48 173.02 13.02 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 122.191 -0.318 . . . . 52.34 110.63 169.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 57.92 -171.77 0.1 Allowed 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.241 1.016 . . . . 73.0 111.059 -162.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 p -102.29 163.37 12.27 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.118 -0.989 . . . . 53.44 109.75 169.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.768 ' HD3' ' HA ' ' A' ' 10' ' ' ARG . 2.4 mmmp? -64.89 -34.28 78.03 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.149 0.58 . . . . 50.31 111.422 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.31 -49.09 77.01 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.468 1.107 . . . . 74.13 111.119 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.433 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 97.1 mt-30 -66.15 -48.39 70.93 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.253 -0.885 . . . . 75.53 111.829 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.21 -36.86 78.63 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.991 1.316 . . . . 74.23 110.941 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.78 95.31 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.607 0.763 . . . . 63.33 112.277 177.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -67.05 -36.44 82.07 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.338 0.655 . . . . 54.5 111.776 176.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 17' ' ' GLN . 85.3 mt -64.54 -37.79 88.78 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 115.843 -0.617 . . . . 74.0 110.79 175.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.487 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 88.2 mttt -64.33 -37.52 87.8 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.947 -0.57 . . . . 74.01 112.022 174.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.8 t -58.98 -44.33 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 CA-C-N 118.177 0.444 . . . . 54.23 110.993 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 t -61.75 -41.51 97.76 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 115.849 -0.614 . . . . 73.54 111.508 174.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -64.3 -34.17 77.51 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 124.121 0.968 . . . . 70.32 111.728 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 95.3 mt -71.11 -31.22 67.51 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.257 1.023 . . . . 64.03 111.704 177.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -69.96 -55.9 8.42 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.438 0.637 . . . . 61.41 110.021 172.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -163.89 138.7 5.97 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.487 1.115 . . . . 70.42 109.157 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -76.72 -6.92 54.18 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 112.715 0.635 . . . . 63.52 112.715 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -126.94 78.68 73.69 Favored Pre-proline 0 CA--C 1.563 1.461 0 C-N-CA 123.868 0.867 . . . . 64.31 110.458 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -76.47 156.27 36.51 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.567 2.178 . . . . 73.43 113.063 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -79.32 153.69 29.63 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.455 0.702 . . . . 72.51 110.603 176.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.97 -29.44 60.22 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 112.846 0.684 . . . . 74.33 112.846 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 p -62.97 -47.91 81.14 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.578 0.751 . . . . 44.11 111.355 173.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.98 -33.58 76.37 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.657 0.783 . . . . 72.43 111.213 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.404 ' O ' ' HG3' ' A' ' 40' ' ' MET . 92.2 mt -67.08 -43.58 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 123.298 0.639 . . . . 71.52 111.003 176.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.6 mt -62.33 -36.88 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 C-N-CA 123.2 0.6 . . . . 64.21 111.33 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -53.98 -55.2 29.34 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.159 0.584 . . . . 73.12 109.95 171.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.98 -36.98 80.85 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.044 0.937 . . . . 74.45 112.099 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 84.4 mtp -58.54 -41.7 86.15 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.037 0.935 . . . . 73.21 111.699 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -78.25 -32.37 49.61 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.084 0.553 . . . . 71.44 112.026 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.8 mm -72.89 -38.89 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 C-N-CA 123.068 0.547 . . . . 75.13 111.487 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.433 ' HB ' ' HG2' ' A' ' 17' ' ' GLN . 72.3 p -96.26 -53.24 3.69 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.706 0.802 . . . . 55.31 111.536 -173.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.27 -4.97 17.83 Favored Glycine 0 N--CA 1.481 1.684 0 CA-C-N 116.207 -0.451 . . . . 72.25 112.604 -171.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.77 164.2 23.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.507 1.123 . . . . 70.34 112.317 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.7 p -95.62 174.44 6.99 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.509 0.723 . . . . 74.41 110.634 173.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -60.16 -35.2 74.81 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.441 0.296 . . . . 70.34 111.384 170.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.72 -50.54 66.41 Favored Glycine 0 C--N 1.351 1.372 0 O-C-N 123.416 0.447 . . . . 54.12 112.635 175.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -55.33 -44.38 75.81 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.917 0.887 . . . . 75.51 112.483 177.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.45 -45.09 47.01 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.292 0 C-N-CA 123.45 0.7 . . . . 72.01 111.799 -175.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -60.31 -44.32 95.55 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 123.651 0.781 . . . . 61.22 112.018 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -67.58 -32.94 74.04 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.012 0.525 . . . . 73.41 111.361 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -63.83 -50.56 68.43 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 122.908 0.13 . . . . 72.02 110.671 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -63.27 -31.99 73.28 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.308 0.643 . . . . 73.42 111.498 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.7 t -59.72 -51.01 71.61 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.367 0.667 . . . . 55.42 111.392 175.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -75.06 -30.37 60.97 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 112.762 0.652 . . . . 72.42 112.762 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.6 m -72.37 -44.4 62.61 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.137 0.575 . . . . 75.42 111.705 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -59.23 -34.8 72.63 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 120.546 0.212 . . . . 72.13 111.122 175.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -69.66 -55.86 8.86 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.676 0.791 . . . . 73.34 111.954 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.69 -42.41 98.01 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.109 0.964 . . . . 61.32 112.281 -172.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -68.61 -18.78 64.38 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.053 0.941 . . . . 74.32 113.134 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -106.85 -21.37 13.05 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 118.31 0.505 . . . . 73.43 112.081 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -92.61 98.91 11.73 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.82 0.848 . . . . 75.12 109.28 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.9 p -69.6 92.26 0.63 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.301 0.572 . . . . 64.31 111.042 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -75.24 -26.15 58.66 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.352 0.661 . . . . 43.41 110.991 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.7 m -64.2 113.5 3.6 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.705 0.802 . . . . 41.53 110.915 176.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 59.7 t30 60.47 76.93 0.34 Allowed 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 124.66 1.184 . . . . 72.42 111.293 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -74.44 -63.96 1.13 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.19 0.596 . . . . 73.02 110.599 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 96.0 m -151.6 160.47 43.64 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.461 0.704 . . . . 74.33 111.327 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.74 -42.78 81.32 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.453 0.701 . . . . 74.11 110.564 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 66.3 18.34 10.89 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.607 1.163 . . . . 72.44 112.658 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.7 tt -77.17 128.07 33.75 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.13 0.972 . . . . 72.42 109.369 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 69.05 5.55 5.14 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.589 1.156 . . . . 75.42 111.878 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 N--CA 1.487 1.397 0 C-N-CA 123.608 0.763 . . . . 75.22 110.435 179.776 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.589 0.233 . . . . 63.31 110.729 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -79.33 -53.73 6.64 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.761 0.824 . . . . 75.43 111.045 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.9 mtt -127.26 140.62 38.4 Favored Pre-proline 0 N--CA 1.492 1.634 0 C-N-CA 124.014 0.926 . . . . 61.21 110.173 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.47 106.69 1.47 Allowed 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 122.925 2.416 . . . . 73.22 112.242 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -61.36 129.65 42.26 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.379 0.672 . . . . 75.2 112.507 -174.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -145.29 124.74 13.11 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.137 0.975 . . . . 73.24 110.276 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -158.34 142.25 15.54 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.66 0.784 . . . . 74.11 110.332 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.11 140.52 5.5 Favored Glycine 0 C--N 1.353 1.487 0 CA-C-N 116.612 -0.267 . . . . 74.11 112.951 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -98.6 138.74 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 123.957 0.903 . . . . 73.25 109.058 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -138.62 -55.19 0.62 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 122.804 0.441 . . . . 74.02 110.368 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.96 41.33 0.75 Allowed 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.206 0.527 . . . . 73.41 111.742 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -117.96 128.8 55.15 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.712 0.805 . . . . 73.32 111.414 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HE2' ' HB2' ' A' ' 53' ' ' TRP . 53.4 mttp -75.43 105.73 6.61 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.323 0.649 . . . . 75.24 110.081 175.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.4 p -70.99 163.29 27.86 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 122.298 0.239 . . . . 73.34 111.17 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -52.15 -42.37 63.32 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 113.379 0.881 . . . . 71.22 113.379 -175.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.17 -33.05 56.56 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.422 0.689 . . . . 74.03 112.534 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -68.48 -49.11 62.19 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.494 0.664 . . . . 51.14 110.388 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.67 -30.76 71.62 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 124.656 1.183 . . . . 71.03 111.17 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.91 91.83 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.585 0.754 . . . . 73.44 112.209 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' HB2' HG22 ' A' ' 43' ' ' THR . 73.2 mm-40 -61.71 -36.64 81.52 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.038 0.535 . . . . 55.23 111.576 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.57 HD22 HG23 ' A' ' 50' ' ' ILE . 56.5 mt -68.16 -37.15 80.7 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 115.734 -0.666 . . . . 52.51 111.205 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 14.2 mmtm -65.89 -44.9 83.93 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.66 0.784 . . . . 74.43 111.241 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.31 -40.64 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 C-N-CA 123.309 0.644 . . . . 73.25 110.614 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 t -63.16 -38.49 91.39 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.415 0.686 . . . . 63.42 111.527 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -68.24 -39.72 82.22 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.016 0.926 . . . . 74.43 111.772 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 96.0 mt -63.81 -32.25 73.7 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.908 0.883 . . . . 53.34 111.776 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -81.54 -53.87 5.9 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.323 0.649 . . . . 75.33 111.279 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.67 124.14 16.88 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.784 0.834 . . . . 63.23 111.786 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -82.36 -11.27 58.69 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.025 0.53 . . . . 71.15 111.401 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -124.59 71.21 57.95 Favored Pre-proline 0 CA--C 1.569 1.689 0 C-N-CA 124.362 1.065 . . . . 65.52 110.422 175.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HB3' ' HG2' ' A' ' 35' ' ' GLU . 15.2 Cg_exo -73.15 142.28 33.9 Favored 'Trans proline' 0 C--N 1.384 2.434 0 C-N-CA 122.84 2.36 . . . . 72.44 112.819 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.401 ' O ' HG12 ' A' ' 36' ' ' ILE . 32.5 m80 -72.38 165.65 24.11 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.74 0.816 . . . . 73.52 111.979 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.26 -36.42 77.76 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.25 0.62 . . . . 71.13 112.088 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.7 m -63.61 -38.82 92.58 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.785 0.834 . . . . 61.35 111.961 176.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.466 ' HG2' ' HB3' ' A' ' 31' ' ' PRO . 10.1 tp10 -60.74 -40.07 91.05 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.629 0.772 . . . . 73.33 111.055 174.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 50' ' ' ILE . 27.9 mm -67.53 -36.85 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 122.825 0.45 . . . . 72.13 111.546 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -55.51 -47.16 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 CA-C-O 121.511 0.672 . . . . 74.15 110.416 174.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -60.36 -49.0 79.34 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.624 -1.171 . . . . 72.01 111.333 174.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.68 -32.78 72.98 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.499 0.719 . . . . 72.03 112.585 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 69.5 mtm -66.04 -35.33 80.26 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 118.248 0.476 . . . . 70.41 111.33 177.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.69 -32.79 66.04 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.554 0.742 . . . . 75.05 112.267 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.4 mm -84.04 -46.64 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.412 0 CA-C-O 120.96 0.409 . . . . 73.44 111.165 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.464 HG22 ' HB2' ' A' ' 20' ' ' GLU . 51.4 p -79.38 -54.91 5.47 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.43 0.692 . . . . 74.15 111.529 -176.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.43 -4.52 29.68 Favored Glycine 0 N--CA 1.48 1.587 0 CA-C-N 116.215 -0.448 . . . . 65.32 112.72 -171.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.2 mt -83.34 175.02 10.18 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.41 1.084 . . . . 73.32 111.487 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.6 p -98.55 167.04 11.06 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.701 0.63 . . . . 63.22 112.701 -174.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' N ' ' SD ' ' A' ' 40' ' ' MET . 23.9 tptm -54.52 -44.69 72.99 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.428 1.091 . . . . 74.41 111.372 175.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.96 -52.39 42.35 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.188 -0.915 . . . . 71.23 113.201 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.09 -46.82 75.53 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 124.141 0.976 . . . . 74.33 113.135 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.57 HG23 HD22 ' A' ' 21' ' ' LEU . 75.5 mt -70.37 -50.8 43.39 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.284 0 C-N-CA 122.79 0.436 . . . . 73.24 112.0 -174.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HE2' HG13 ' A' ' 36' ' ' ILE . 54.7 mmtt -56.28 -38.31 71.02 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 123.153 0.581 . . . . 73.15 111.788 173.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -65.13 -40.4 94.4 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.225 1.01 . . . . 73.01 110.89 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.476 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 92.2 t90 -61.48 -45.31 94.79 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.952 0.901 . . . . 63.12 112.044 -176.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -61.02 -31.23 70.86 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.541 0.336 . . . . 71.14 111.372 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 m -67.48 -44.61 78.11 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.996 0.519 . . . . 71.04 110.86 172.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -63.8 -37.34 87.01 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.489 0.716 . . . . 65.44 111.905 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 60.2 m -77.35 -36.49 53.67 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.392 0.677 . . . . 64.33 111.432 -176.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -67.65 -33.86 75.8 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 123.211 0.604 . . . . 74.22 111.854 173.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -65.54 -50.54 64.83 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.52 0.728 . . . . 73.21 110.837 172.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -65.0 -32.75 74.63 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 114.874 -1.057 . . . . 62.45 110.975 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -67.08 -43.51 82.4 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.763 0.825 . . . . 74.2 110.466 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -58.33 -38.72 77.71 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.288 0.635 . . . . 75.4 111.383 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -74.81 99.09 3.66 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 116.281 -0.418 . . . . 71.14 110.108 173.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.2 p -66.63 138.81 57.71 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.439 0.695 . . . . 74.14 111.09 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -78.91 92.57 4.92 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.418 0.628 . . . . 73.43 110.712 -171.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.6 m -91.0 23.25 3.28 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.051 0.94 . . . . 72.34 112.179 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 57.13 79.46 0.19 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.663 1.185 . . . . 71.31 110.951 -172.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -136.97 164.02 29.34 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.304 1.041 . . . . 71.25 111.27 -173.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.6 t -75.6 127.03 32.18 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.325 0.65 . . . . 72.14 111.279 176.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.9 tt -82.39 95.52 7.67 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 108.894 -0.78 . . . . 60.1 108.894 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -149.22 83.05 1.43 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.115 0.566 . . . . 70.13 109.699 -176.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 mp -89.34 103.54 16.17 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.591 0.756 . . . . 72.21 111.507 -175.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -86.12 167.74 14.68 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.504 0.722 . . . . 72.1 110.959 173.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 CA--C 1.568 1.645 0 CA-C-O 118.442 -0.789 . . . . 60.45 111.05 176.169 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.428 0.156 . . . . 74.42 110.61 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -77.65 138.81 39.3 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.86 0.464 . . . . 72.52 110.253 174.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 61.8 mtt 56.24 67.92 2.55 Favored Pre-proline 0 CA--C 1.574 1.871 0 C-N-CA 124.215 1.006 . . . . 72.41 111.818 -169.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -82.15 87.64 1.39 Allowed 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.78 2.32 . . . . 63.51 112.858 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -75.53 -29.18 59.35 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 115.616 -0.72 . . . . 53.2 112.322 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 m -75.08 113.69 12.71 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.297 0.639 . . . . 74.14 110.672 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -100.02 -166.69 1.36 Allowed 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 123.562 0.745 . . . . 74.42 111.154 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.65 42.21 0.02 OUTLIER Glycine 0 N--CA 1.477 1.43 0 CA-C-O 121.058 0.255 . . . . 54.31 112.742 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.0 mm -80.6 82.66 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-O 121.439 0.638 . . . . 63.34 110.853 -176.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -123.48 0.39 8.83 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.974 0.91 . . . . 75.01 110.972 172.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -151.07 161.63 42.37 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.507 1.123 . . . . 64.41 110.098 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -127.28 109.89 12.27 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 121.23 0.538 . . . . 74.44 111.163 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -135.84 137.42 41.48 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.417 1.487 . . . . 54.53 108.744 170.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 p -69.71 145.39 52.35 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 109.029 -0.73 . . . . 74.21 109.029 175.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -58.95 -29.82 67.42 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.417 0.525 . . . . 64.43 112.417 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.78 -49.48 68.18 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.264 0.626 . . . . 74.55 111.547 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.32 -50.04 74.55 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.33 0.652 . . . . 64.04 111.072 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.82 -35.91 81.46 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.962 1.305 . . . . 75.14 111.041 -176.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.454 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -65.39 -45.06 85.51 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.399 0.68 . . . . 72.44 111.785 178.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -62.78 -37.11 85.38 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.802 0.441 . . . . 62.01 111.742 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.483 HD22 HG23 ' A' ' 50' ' ' ILE . 84.3 mt -64.49 -40.02 94.89 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 116.043 -0.526 . . . . 71.54 110.834 174.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -62.17 -41.33 98.21 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.411 0.685 . . . . 63.04 111.808 174.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 19' ' ' ALA . 77.3 t -56.72 -40.88 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 C-N-CA 123.462 0.705 . . . . 73.23 111.627 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.8 t -74.68 -38.7 62.33 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.087 0.555 . . . . 65.42 111.434 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -63.07 -43.72 97.8 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.018 0.927 . . . . 71.12 112.478 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.04 -25.25 66.96 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.699 0.8 . . . . 64.43 112.363 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -87.38 -38.36 16.25 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.95 0.5 . . . . 73.1 111.078 174.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' A' ' 31' ' ' PRO . 60.8 t30 -155.99 110.45 2.85 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.615 0.766 . . . . 72.41 109.628 -175.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -71.24 -32.71 69.1 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.778 0.831 . . . . 55.33 111.562 -169.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -120.38 87.01 39.86 Favored Pre-proline 0 CA--C 1.553 1.071 0 N-CA-C 108.253 -1.017 . . . . 74.21 108.253 172.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.468 ' HA ' ' ND2' ' A' ' 28' ' ' ASN . 41.4 Cg_endo -87.23 175.4 4.81 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.808 2.339 . . . . 74.35 114.242 -174.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -77.66 161.46 27.77 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 115.171 -0.922 . . . . 74.11 111.909 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.06 -29.85 69.98 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.013 0.525 . . . . 72.25 110.965 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.3 p -61.3 -45.23 95.32 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.155 0.982 . . . . 74.23 111.704 174.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -57.7 -48.48 79.45 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 121.351 0.596 . . . . 55.53 110.405 173.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.55 HD13 ' HG2' ' A' ' 51' ' ' LYS . 88.6 mt -65.18 -30.4 50.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 CA-C-N 114.429 -1.26 . . . . 73.2 111.932 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.413 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 78.7 mt -67.5 -48.68 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 122.703 0.401 . . . . 74.33 110.38 171.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -53.28 -41.63 65.76 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.558 0.743 . . . . 71.35 110.927 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 36' ' ' ILE . 36.7 mt -66.51 -41.26 89.1 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.24 -0.891 . . . . 74.0 110.974 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.516 ' SD ' ' HB2' ' A' ' 47' ' ' LYS . 84.0 mtp -60.17 -35.69 75.91 Favored 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 123.128 0.571 . . . . 74.43 111.699 173.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 37' ' ' ILE . 29.7 mmmt -67.03 -46.75 73.49 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.668 0.787 . . . . 74.32 111.953 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.4 mm -84.2 -48.19 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.09 0.556 . . . . 74.13 112.033 -173.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.5 p -73.62 -35.99 65.41 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.106 0.562 . . . . 74.52 111.894 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.6 18.25 71.23 Favored Glycine 0 CA--C 1.538 1.476 0 CA-C-N 116.384 -0.371 . . . . 70.51 113.243 -173.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.6 mt -89.22 170.6 10.46 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.032 0.933 . . . . 75.51 111.536 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 p -89.79 152.73 21.15 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.534 -0.757 . . . . 64.12 109.993 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.516 ' HB2' ' SD ' ' A' ' 40' ' ' MET . 36.7 ttmt -58.36 -33.57 69.7 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 123.763 0.825 . . . . 70.32 112.486 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.19 -45.54 93.38 Favored Glycine 0 CA--C 1.535 1.317 0 CA-C-N 116.261 -0.427 . . . . 64.42 114.044 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.0 -46.39 90.98 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.497 0.719 . . . . 63.35 111.233 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.483 HG23 HD22 ' A' ' 21' ' ' LEU . 64.1 mt -65.73 -45.04 92.98 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 CA-C-N 115.124 -0.944 . . . . 75.25 112.623 -176.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.55 ' HG2' HD13 ' A' ' 36' ' ' ILE . 93.6 mttt -65.64 -42.14 91.78 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.61 0.596 . . . . 71.34 112.61 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -65.8 -36.22 82.9 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.231 0.212 . . . . 71.31 111.065 175.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -54.53 -47.07 73.59 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.585 0.754 . . . . 71.43 111.674 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -60.49 -40.79 92.6 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 112.525 0.565 . . . . 72.25 112.525 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 99.8 p -72.0 -42.38 66.49 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 112.308 0.484 . . . . 44.21 112.308 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -68.71 -35.81 77.64 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.192 0.597 . . . . 72.42 111.766 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.9 m -66.49 -43.03 86.51 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.669 0.787 . . . . 74.12 110.334 172.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -62.17 -34.39 76.34 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.59 0.756 . . . . 74.42 111.297 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -64.37 -41.37 96.74 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 123.593 0.757 . . . . 65.22 110.999 173.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -75.27 -25.69 58.2 Favored 'General case' 0 CA--C 1.561 1.373 0 C-N-CA 123.393 0.677 . . . . 64.11 111.619 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -85.5 -23.07 27.91 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.657 -0.652 . . . . 73.14 111.291 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -75.8 -45.54 35.53 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.148 0.979 . . . . 75.33 109.898 171.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -116.81 87.31 2.67 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.711 1.204 . . . . 74.55 109.297 177.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -77.67 4.32 11.78 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 114.567 1.321 . . . . 72.21 114.567 -168.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -152.89 143.49 22.71 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.172 0.589 . . . . 74.33 110.892 173.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.5 p -164.61 100.65 0.8 Allowed 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.45 0.7 . . . . 73.33 110.913 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 64.89 136.06 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 125.387 1.475 . . . . 72.44 113.541 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -159.26 -56.69 0.06 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.268 1.027 . . . . 73.33 108.912 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.488 ' HB3' HD23 ' A' ' 72' ' ' LEU . 71.4 m -82.1 84.4 7.03 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 115.468 -0.787 . . . . 60.2 110.365 174.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.7 tp -81.65 98.01 8.17 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 116.096 -0.502 . . . . 75.24 109.768 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 61.54 29.18 18.21 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 124.478 1.111 . . . . 73.12 111.253 -173.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 69' ' ' CYS . 96.7 mt 54.0 77.05 0.2 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.293 1.037 . . . . 63.42 111.173 -170.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -69.48 124.53 24.15 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.164 0.586 . . . . 53.13 110.92 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 CA--C 1.572 1.803 0 C-N-CA 123.671 0.788 . . . . 74.03 112.969 -175.252 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 120.965 0.412 . . . . 70.23 111.259 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -120.73 32.68 5.87 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.843 0.857 . . . . 63.13 109.9 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.3 mtm -73.89 136.51 76.77 Favored Pre-proline 0 CA--C 1.559 1.301 0 C-N-CA 124.057 0.943 . . . . 60.13 111.634 -174.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.469 ' HG3' ' HB3' ' A' ' 15' ' ' LYS . 37.0 Cg_endo -61.46 105.47 0.35 Allowed 'Trans proline' 0 C--N 1.379 2.184 0 C-N-CA 122.999 2.466 . . . . 74.44 112.721 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -76.8 157.9 31.24 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.663 0.785 . . . . 73.2 112.67 -175.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t 68.34 156.13 0.12 Allowed 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 125.133 1.373 . . . . 72.12 113.406 173.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -97.24 118.3 33.39 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.372 0.669 . . . . 72.43 110.427 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.15 117.32 4.39 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-N 116.15 -0.477 . . . . 72.51 112.419 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.67 98.7 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.373 0 C-N-CA 123.161 0.585 . . . . 74.05 110.29 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 60.78 16.2 6.56 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 125.136 1.375 . . . . 74.14 113.823 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.39 115.77 13.16 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.074 0.55 . . . . 62.11 110.205 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -79.56 70.63 6.07 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 121.788 0.804 . . . . 63.32 111.217 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -139.96 99.62 3.73 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.041 1.336 . . . . 72.21 110.582 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.2 p -77.63 163.65 26.03 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 109.359 -0.608 . . . . 54.4 109.359 170.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.469 ' HB3' ' HG3' ' A' ' 4' ' ' PRO . 12.4 ptpt -65.77 -22.65 66.6 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 112.307 0.484 . . . . 63.24 112.307 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -71.34 -46.27 60.95 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.338 0.655 . . . . 71.02 110.534 171.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.9 -50.64 67.95 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.283 0.633 . . . . 73.05 111.038 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.7 mt -52.97 -47.49 68.11 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.357 1.063 . . . . 71.2 112.244 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.5 -50.52 69.71 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.39 0.676 . . . . 75.43 112.323 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.69 -32.82 68.25 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.466 0.706 . . . . 74.05 112.502 -175.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.53 -34.42 70.02 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.892 0.477 . . . . 72.33 111.462 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.15 -40.14 90.34 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.003 0.521 . . . . 74.53 111.253 175.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.57 -45.26 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.293 0.637 . . . . 73.03 110.837 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.4 t -68.65 -28.33 66.79 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 115.806 -0.633 . . . . 72.22 112.139 176.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -69.48 -37.2 77.16 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.6 0.76 . . . . 70.25 111.004 176.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -69.79 -31.07 68.78 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.531 0.732 . . . . 61.33 111.618 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -79.84 -39.93 29.57 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.337 0.655 . . . . 75.34 111.247 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -160.34 103.43 1.42 Allowed 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.577 1.151 . . . . 71.01 110.923 -172.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -66.49 -28.98 69.0 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.563 0.696 . . . . 75.14 110.764 174.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -114.49 92.39 28.2 Favored Pre-proline 0 CA--C 1.557 1.225 0 C-N-CA 124.806 1.242 . . . . 63.4 108.14 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -77.57 149.49 27.08 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.031 2.487 . . . . 71.34 112.833 -174.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -89.67 -91.52 0.13 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.294 0.638 . . . . 72.0 111.388 -171.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -147.32 -57.22 0.25 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.027 0.931 . . . . 72.24 110.161 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.3 m -58.97 -42.27 89.53 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 124.067 0.947 . . . . 60.43 112.707 -173.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -58.77 -43.83 90.47 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.414 0.686 . . . . 73.24 110.982 173.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.455 HG21 ' HG3' ' A' ' 47' ' ' LYS . 10.5 mt -69.61 -33.3 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 115.316 -0.856 . . . . 61.54 110.989 -175.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.68 -42.64 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.424 0.69 . . . . 71.44 110.758 173.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -64.97 -39.98 94.3 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 116.119 -0.491 . . . . 70.13 110.726 175.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 36' ' ' ILE . 92.1 mt -61.78 -37.57 84.83 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.287 0.635 . . . . 73.21 111.59 173.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 58.5 mtm -64.48 -34.34 77.98 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.897 0.479 . . . . 62.25 111.273 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -70.03 -42.24 73.21 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.471 0.708 . . . . 74.11 111.773 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.8 mm -81.87 -62.11 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 122.873 0.469 . . . . 75.34 111.718 -175.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.2 p -69.31 -38.5 78.28 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.524 0.73 . . . . 64.24 111.96 -176.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.98 -4.58 59.08 Favored Glycine 0 N--CA 1.478 1.45 0 CA-C-N 116.368 -0.378 . . . . 72.43 113.747 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 mt -76.97 176.12 8.91 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.267 1.027 . . . . 74.14 111.688 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.6 p -104.97 156.12 18.33 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 123.442 0.697 . . . . 75.13 110.601 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HG3' HG21 ' A' ' 36' ' ' ILE . 36.9 ttpt -54.87 -46.4 74.73 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.949 1.092 . . . . 73.11 113.949 -171.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.48 -35.08 86.27 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 116.799 -0.182 . . . . 71.21 113.482 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -67.73 -41.32 83.64 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.958 0.903 . . . . 62.25 109.902 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.68 -46.14 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.569 1.147 . . . . 72.33 112.109 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -64.03 -29.55 70.69 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 112.274 0.472 . . . . 72.23 112.274 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.37 -33.89 75.62 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.411 0.284 . . . . 64.21 111.433 172.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -61.98 -47.4 84.98 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.542 0.337 . . . . 74.1 110.978 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -61.58 -32.01 72.08 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.165 0.586 . . . . 73.41 111.525 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -69.53 -44.16 71.54 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.12 0.568 . . . . 63.22 111.156 174.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -68.18 -35.34 77.87 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.272 0.629 . . . . 72.3 111.979 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.0 m -71.85 -40.55 68.93 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.116 0.566 . . . . 71.13 110.632 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -71.63 -27.72 63.29 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 122.691 0.396 . . . . 70.21 111.929 174.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.74 -55.84 20.11 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.686 0.395 . . . . 63.2 110.075 168.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -72.02 -6.84 45.14 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.688 0.795 . . . . 71.35 113.069 -178.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -73.25 -41.73 63.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.607 0.763 . . . . 74.25 109.555 169.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -108.2 5.9 26.21 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 113.107 0.78 . . . . 74.22 113.107 -176.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.503 HD21 ' HE3' ' A' ' 65' ' ' LYS . 9.0 t-20 -153.1 151.82 30.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 122.044 -0.41 . . . . 71.13 111.225 -175.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.4 p -164.54 -47.13 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 112.368 0.506 . . . . 72.42 112.368 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.503 ' HE3' HD21 ' A' ' 63' ' ' ASN . 1.4 mptm? 64.03 -178.06 0.16 Allowed 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 124.377 1.071 . . . . 72.21 112.466 -171.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.6 t -121.48 99.12 6.29 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.846 0.858 . . . . 70.22 110.243 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -110.0 163.26 13.74 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.711 0.804 . . . . 73.5 111.874 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -110.33 173.38 6.36 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.838 0.855 . . . . 74.51 110.831 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.5 t -67.84 97.97 0.69 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.202 0.601 . . . . 65.4 111.209 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 tt -66.97 119.35 11.8 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.586 0.754 . . . . 60.25 110.085 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -121.03 97.8 5.69 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.623 0.769 . . . . 64.43 109.744 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.0 tp -95.07 106.71 18.73 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.176 0.59 . . . . 71.23 111.058 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -157.16 158.77 36.91 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.913 0.885 . . . . 74.54 109.718 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 CA--C 1.574 1.904 0 C-N-CA 123.69 0.796 . . . . 55.01 112.991 -177.42 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 110.969 -0.011 . . . . 72.43 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -76.95 -18.49 58.21 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.21 0.604 . . . . 63.51 112.206 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.4 mtt -57.07 105.01 0.46 Allowed Pre-proline 0 N--CA 1.489 1.492 0 C-N-CA 124.291 1.036 . . . . 72.21 112.336 -173.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -93.16 -162.48 0.1 OUTLIER 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.276 2.651 . . . . 74.11 113.047 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.87 112.1 15.69 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.062 0.545 . . . . 65.21 110.463 173.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 m -68.87 -55.92 9.55 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.269 0.627 . . . . 64.03 110.375 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -125.56 121.5 33.84 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.781 0.832 . . . . 72.44 109.681 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.27 51.95 0.49 Allowed Glycine 0 N--CA 1.472 1.04 0 N-CA-C 111.878 -0.489 . . . . 62.14 111.878 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -80.07 115.39 22.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 C-N-CA 123.489 0.716 . . . . 64.02 110.141 -175.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -117.34 -67.39 1.0 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.622 0.769 . . . . 70.24 110.074 174.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 57.41 26.73 12.9 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 124.092 0.957 . . . . 62.13 112.203 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -78.94 -2.67 41.15 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 125.033 1.333 . . . . 74.3 112.627 -171.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -57.02 105.62 0.24 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.496 1.119 . . . . 74.35 112.886 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 p -82.59 172.29 13.13 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.068 0.947 . . . . 71.05 111.312 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -57.37 -44.8 84.72 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 112.901 0.704 . . . . 75.01 112.901 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -62.97 -38.0 89.37 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.284 0.634 . . . . 74.03 111.738 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -69.56 -45.89 67.68 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.48 -0.782 . . . . 72.43 111.369 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.33 -32.7 73.5 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.046 0.939 . . . . 73.23 111.978 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.471 ' HA ' ' HZ2' ' A' ' 22' ' ' LYS . . . -63.04 -48.41 78.84 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 123.173 0.589 . . . . 61.04 111.715 177.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.44 -38.23 89.26 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.257 0.623 . . . . 73.04 112.074 175.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.09 -41.24 99.35 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.198 0.599 . . . . 72.22 111.99 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.471 ' HZ2' ' HA ' ' A' ' 19' ' ' ALA . 10.0 mtmp? -67.73 -38.68 83.87 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.998 0.519 . . . . 70.43 111.958 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.8 t -58.23 -44.81 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-O 121.234 0.54 . . . . 52.24 110.587 171.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.9 t -67.61 -29.54 68.9 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.412 -0.813 . . . . 73.05 112.027 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -72.03 -39.82 68.87 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.393 0.677 . . . . 73.54 111.597 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 96.0 mt -62.82 -23.77 67.43 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.414 0.686 . . . . 52.45 112.35 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -93.78 -59.84 1.9 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.845 0.858 . . . . 71.42 110.823 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -126.34 111.12 14.14 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.949 1.299 . . . . 54.03 110.289 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -75.88 -19.03 59.17 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.043 0.537 . . . . 72.04 111.302 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -134.49 92.18 20.76 Favored Pre-proline 0 CA--C 1.569 1.686 0 C-N-CA 124.349 1.06 . . . . 62.3 109.871 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.35 150.93 37.36 Favored 'Trans proline' 0 C--N 1.381 2.262 0 C-N-CA 123.409 2.74 . . . . 75.21 113.219 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -87.02 -75.89 0.38 Allowed 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.619 0.768 . . . . 73.34 112.61 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -150.95 -58.37 0.17 Allowed 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.547 0.573 . . . . 73.42 112.547 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.4 m -61.88 -39.0 90.4 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.756 0.822 . . . . 60.23 111.992 -176.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -68.5 -35.02 76.92 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.454 0.701 . . . . 63.3 111.468 176.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.8 mt -64.13 -48.76 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 C-N-CA 122.931 0.492 . . . . 63.31 110.902 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.49 -35.01 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 123.351 0.661 . . . . 72.33 111.325 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -56.97 -52.76 63.94 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 115.807 -0.633 . . . . 63.04 110.493 172.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.14 -40.88 97.44 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.184 0.594 . . . . 53.04 111.631 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.519 ' HG3' HD12 ' A' ' 50' ' ' ILE . 49.1 mtp -54.47 -45.23 73.13 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 123.884 0.874 . . . . 54.12 112.614 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -90.06 -13.87 35.02 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 113.186 0.81 . . . . 63.23 113.186 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.8 mm -86.87 -56.68 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 C-N-CA 122.684 0.394 . . . . 73.51 110.253 171.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.5 p -66.17 -49.72 66.42 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.587 0.755 . . . . 64.23 111.533 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.12 24.64 5.91 Favored Glycine 0 N--CA 1.479 1.536 0 CA-C-N 116.338 -0.392 . . . . 72.52 112.825 -173.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.5 mt -101.51 171.95 7.26 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 113.614 0.968 . . . . 54.0 113.614 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.6 p -97.51 170.99 8.66 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 114.531 -1.213 . . . . 54.54 110.157 170.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -60.82 -54.51 44.24 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.411 0.685 . . . . 70.13 111.67 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.03 -33.44 64.13 Favored Glycine 0 CA--C 1.538 1.504 0 N-CA-C 114.505 0.562 . . . . 52.32 114.505 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.13 -51.68 66.92 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.388 0.675 . . . . 71.22 111.694 175.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.519 HD12 ' HG3' ' A' ' 40' ' ' MET . 67.3 mt -67.72 -48.57 75.51 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 C-N-CA 123.529 0.732 . . . . 73.32 111.737 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -51.42 -52.34 46.98 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.479 1.111 . . . . 75.45 112.209 177.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -71.93 -31.21 66.12 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.774 -0.648 . . . . 51.23 111.544 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -60.7 -49.64 76.71 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 111.832 0.308 . . . . 74.14 111.832 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -61.23 -28.63 69.29 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.924 0.49 . . . . 73.02 112.04 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.8 m -68.28 -55.84 10.72 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.144 0.578 . . . . 72.23 111.37 173.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.22 -29.16 68.74 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 112.99 0.737 . . . . 62.42 112.99 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.1 m -78.73 -32.82 46.95 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.172 0.589 . . . . 71.23 110.682 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -40.44 95.6 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-O 121.036 0.446 . . . . 74.44 109.841 171.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -64.11 -45.32 89.16 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.957 0.903 . . . . 74.24 111.327 173.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -71.62 -29.75 65.01 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.694 0.797 . . . . 71.14 111.682 -175.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -68.49 -35.39 77.45 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.279 1.032 . . . . 41.33 110.917 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -98.78 9.49 43.28 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.384 0.674 . . . . 70.02 111.876 176.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -88.89 139.57 30.32 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.523 0.729 . . . . 74.45 110.55 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.6 t -76.88 119.82 21.16 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.524 0.73 . . . . 71.51 110.874 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? 68.68 110.05 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.953 1.301 . . . . 74.22 112.115 176.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.8 t -159.19 167.74 28.31 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.038 0.935 . . . . 73.31 110.747 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -80.0 84.78 5.69 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 123.272 0.629 . . . . 73.35 111.394 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -88.04 144.55 26.45 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.89 -0.506 . . . . 75.41 111.295 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 54.1 t -86.29 85.46 7.34 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.465 0.706 . . . . 71.41 111.824 -174.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.1 mp -82.23 106.22 13.95 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.871 0.469 . . . . 75.41 111.045 176.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -77.14 90.02 3.65 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 108.709 -0.849 . . . . 71.2 108.709 166.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.629 ' H ' HD23 ' A' ' 72' ' ' LEU . 1.8 pt? -93.0 139.97 29.97 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.805 0.442 . . . . 73.24 110.93 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -135.8 99.65 4.23 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 108.513 -0.921 . . . . 51.33 108.513 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 p30 . . . . . 0 CA--C 1.566 1.562 0 C-N-CA 123.92 0.888 . . . . 71.43 110.996 -176.289 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.3 m . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 110.721 -0.103 . . . . 73.34 110.721 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -90.4 -32.39 16.46 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.407 0.683 . . . . 74.42 110.939 173.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.5 mmt 66.77 89.4 0.1 OUTLIER Pre-proline 0 N--CA 1.487 1.401 0 C-N-CA 125.032 1.333 . . . . 71.2 111.747 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -84.32 -177.76 3.12 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 123.238 2.625 . . . . 51.45 113.339 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 60.42 23.09 12.67 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 124.604 1.162 . . . . 65.41 112.867 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -76.79 100.0 5.33 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.322 0.649 . . . . 72.42 110.331 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -95.9 -45.85 6.78 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.724 0.81 . . . . 74.44 111.701 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.61 157.73 18.88 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 123.062 0.363 . . . . 75.01 112.804 -175.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -76.74 113.19 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 123.591 0.756 . . . . 74.32 110.638 -173.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 60.64 25.6 15.34 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 124.31 1.044 . . . . 72.04 111.55 173.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.07 100.32 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.969 1.308 . . . . 73.41 111.245 -172.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -62.59 105.5 0.65 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.552 0.741 . . . . 73.4 110.049 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -68.37 149.81 48.92 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.259 0.623 . . . . 73.2 112.526 -172.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.5 p -65.29 158.03 27.44 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.25 0.62 . . . . 64.22 111.648 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -64.39 -24.71 67.73 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.371 0.668 . . . . 63.21 111.616 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.38 -46.75 47.15 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.658 0.783 . . . . 72.33 111.22 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -61.78 -38.62 88.74 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.105 0.562 . . . . 73.34 111.124 174.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 67.6 mt -64.74 -47.97 76.28 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.495 0.718 . . . . 71.14 111.241 175.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.44 73.71 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.089 0.956 . . . . 73.15 112.833 -174.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -62.44 -42.41 99.43 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.988 0.515 . . . . 64.24 111.746 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD22 HG23 ' A' ' 50' ' ' ILE . 84.7 mt -66.7 -36.68 83.07 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.653 -0.703 . . . . 73.5 111.377 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.488 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 47.9 mtpt -72.48 -44.1 62.76 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.184 0.594 . . . . 72.45 111.977 -177.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.1 t -60.84 -43.38 95.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 122.753 0.421 . . . . 70.24 110.632 176.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.6 t -63.98 -38.51 91.35 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 115.819 -0.628 . . . . 73.53 111.204 174.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -62.85 -33.66 75.73 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.044 0.937 . . . . 75.14 112.099 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 77.6 mt -71.55 -33.25 68.96 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.59 0.356 . . . . 73.32 111.842 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -77.04 -43.39 34.7 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.26 0.553 . . . . 55.4 110.831 173.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -143.61 102.83 4.0 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.783 1.233 . . . . 63.52 110.201 -175.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.63 -29.4 68.71 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.632 0.73 . . . . 72.2 110.812 178.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -111.82 91.93 16.32 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 125.38 1.472 . . . . 73.5 107.754 171.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -75.53 143.45 27.45 Favored 'Trans proline' 0 C--N 1.366 1.476 0 C-N-CA 122.595 2.197 . . . . 62.54 113.074 -175.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -67.51 153.73 43.03 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.008 0.523 . . . . 71.43 109.923 173.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' O ' HG13 ' A' ' 37' ' ' ILE . 19.2 t70 -54.21 -40.91 68.08 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.093 0.557 . . . . 51.33 111.926 -177.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.8 t -63.25 -38.56 91.65 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.114 0.966 . . . . 71.23 112.31 176.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.68 -43.3 97.06 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.483 0.713 . . . . 65.34 110.757 175.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.0 mt -62.12 -36.23 73.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.796 0.839 . . . . 74.41 110.832 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.511 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 85.3 mt -63.1 -46.3 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 122.857 0.463 . . . . 64.12 110.724 174.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -55.26 -43.51 74.74 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.018 0.527 . . . . 64.24 111.029 175.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.6 -35.3 77.46 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.46 -0.791 . . . . 74.33 111.576 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.2 mtm -67.4 -39.87 85.6 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 122.513 0.325 . . . . 72.54 111.038 171.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 37' ' ' ILE . 32.2 mmmt -65.35 -29.2 69.9 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.495 0.718 . . . . 75.11 111.721 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.4 mm -92.37 -64.61 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 C-N-CA 122.9 0.48 . . . . 52.52 111.153 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.8 p -66.14 -33.39 75.67 Favored 'General case' 0 N--CA 1.502 2.146 0 N-CA-C 113.012 0.745 . . . . 73.45 113.012 -172.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.68 -0.35 67.55 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-N 116.378 -0.374 . . . . 34.42 113.684 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.4 mt -74.83 175.96 7.53 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.953 0.901 . . . . 72.45 112.132 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -101.33 159.4 15.3 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 115.802 -0.635 . . . . 63.31 110.854 172.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HG2' ' HE2' ' A' ' 51' ' ' LYS . 38.6 ttmt -56.23 -36.04 68.04 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.215 1.006 . . . . 71.35 112.426 -177.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.38 -54.94 32.04 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-N 115.995 -0.548 . . . . 62.15 112.906 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -56.22 -40.18 73.67 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 123.844 0.857 . . . . 75.34 112.444 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.412 HG23 HD22 ' A' ' 21' ' ' LEU . 72.6 mt -65.65 -47.88 84.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-N 115.199 -0.909 . . . . 64.35 111.731 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' HE2' ' HG2' ' A' ' 47' ' ' LYS . 55.6 mtmt -69.0 -29.83 68.11 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 112.171 0.434 . . . . 73.33 112.171 178.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -64.91 -34.49 78.53 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.234 0.614 . . . . 73.33 110.662 172.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -69.49 -49.93 50.07 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.291 174.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -61.35 -30.97 70.85 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.435 0.694 . . . . 71.21 111.791 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.1 t -61.92 -53.44 55.66 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.368 0.667 . . . . 72.52 110.949 175.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -63.55 -45.06 92.28 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.358 0.663 . . . . 73.24 111.665 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.415 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 27.8 m -63.98 -35.6 81.24 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.813 0.845 . . . . 64.35 111.964 -176.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -64.61 -41.75 96.0 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.274 0.63 . . . . 72.34 111.197 170.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -66.27 -37.61 85.89 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 123.443 0.697 . . . . 71.35 111.972 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -70.9 -8.1 50.47 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 112.708 0.633 . . . . 72.12 112.708 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 57' ' ' THR . 57.2 mm-40 -89.2 -21.63 23.18 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.845 0.458 . . . . 74.35 110.715 172.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -121.23 18.44 11.52 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.029 0.932 . . . . 72.51 111.989 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.59 86.87 0.32 Allowed 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.701 0.763 . . . . 71.12 112.437 -178.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.6 t -116.64 29.68 7.79 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.815 0.846 . . . . 74.31 110.415 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -54.41 126.17 22.35 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.235 1.014 . . . . 63.02 111.884 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.8 m -57.26 130.17 45.01 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.616 0.766 . . . . 72.23 112.291 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -69.32 96.2 0.84 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.264 0.626 . . . . 75.12 110.828 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -75.07 161.19 29.64 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.704 0.802 . . . . 70.21 111.448 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 67.9 m -83.6 -21.09 32.67 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.559 0.744 . . . . 62.32 111.095 174.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.1 tp 60.72 90.56 0.06 Allowed 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 125.466 1.506 . . . . 53.2 111.793 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 80.4 t60 69.08 113.43 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.797 1.639 . . . . 73.34 112.538 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.76 116.88 28.19 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.576 0.751 . . . . 71.21 109.224 176.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -134.03 127.57 32.55 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.569 0.747 . . . . 71.25 110.433 -177.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 . . . . . 0 CA--C 1.562 1.418 0 C-N-CA 123.951 0.9 . . . . 62.25 109.11 177.087 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.296 0.093 . . . . 73.25 110.821 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -89.07 -25.5 21.88 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.062 0.545 . . . . 72.45 111.639 175.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.413 ' SD ' ' N ' ' A' ' 3' ' ' MET . 1.5 mpt? -101.51 105.09 38.36 Favored Pre-proline 0 N--CA 1.484 1.232 0 C-N-CA 123.75 0.82 . . . . 73.55 110.924 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -94.8 89.41 0.12 Allowed 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 123.399 2.733 . . . . 71.11 112.032 170.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.08 -78.88 0.09 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.275 0.63 . . . . 70.14 111.945 -176.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 m 53.46 71.88 0.47 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.757 1.223 . . . . 65.23 112.389 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -97.26 -15.29 20.88 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 112.348 0.499 . . . . 73.43 112.348 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.4 64.4 2.58 Favored Glycine 0 C--N 1.347 1.163 0 C-N-CA 122.719 0.199 . . . . 72.12 113.34 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.0 mp -79.69 91.02 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 CA-C-O 121.355 0.597 . . . . 75.25 109.601 175.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -120.35 29.0 7.7 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 124.514 1.125 . . . . 71.34 109.414 174.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.7 25.38 0.44 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.516 1.127 . . . . 75.13 113.401 -174.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -74.14 88.93 1.97 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.18 0.592 . . . . 75.41 109.583 172.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.461 ' HZ2' HD22 ' A' ' 45' ' ' LEU . 61.1 mttm -103.5 146.21 28.86 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.107 0.963 . . . . 75.45 110.577 -175.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.9 p -67.3 171.12 6.22 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 112.678 0.621 . . . . 64.42 112.678 -174.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -64.82 -31.57 72.86 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.302 0.641 . . . . 70.03 111.548 -172.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 2.1 mp0 -69.14 -50.69 45.52 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.883 0.873 . . . . 73.31 109.409 179.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.464 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 76.5 mt-30 -59.31 -54.93 41.22 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.727 1.211 . . . . 72.01 112.525 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 tt -58.66 -37.9 77.0 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 124.075 0.95 . . . . 75.32 110.625 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -64.41 -49.46 71.44 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.286 0.634 . . . . 54.51 112.135 177.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 39.3 mm-40 -56.93 -40.23 75.99 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.582 0.753 . . . . 74.14 112.047 179.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 17' ' ' GLN . 85.9 mt -68.81 -40.19 79.66 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.146 -0.934 . . . . 75.13 111.255 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 48.6 mtpt -65.69 -41.92 91.82 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.59 0.356 . . . . 73.34 111.833 176.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.433 HG12 ' HE2' ' A' ' 27' ' ' LYS . 83.2 t -59.7 -44.02 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 123.343 0.657 . . . . 72.43 110.856 177.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 t -65.68 -35.58 81.19 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.431 0.692 . . . . 75.42 111.762 175.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -68.81 -34.97 76.4 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.852 0.861 . . . . 73.13 111.708 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 94.8 mt -74.73 -25.89 59.42 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.421 0.689 . . . . 53.04 111.722 178.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HE2' HG12 ' A' ' 23' ' ' VAL . 66.4 mttm -70.65 -55.18 9.34 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.587 0.708 . . . . 52.1 109.831 169.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -151.89 122.13 7.23 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 114.601 -1.181 . . . . 74.51 109.469 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -72.97 -6.2 43.81 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 112.356 0.502 . . . . 74.41 112.356 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -122.55 93.01 48.79 Favored Pre-proline 0 CA--C 1.556 1.208 0 C-N-CA 124.767 1.227 . . . . 61.03 108.809 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -77.44 143.76 22.18 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 122.953 2.435 . . . . 50.44 113.408 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -78.33 147.43 34.22 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.519 -0.764 . . . . 54.43 110.023 173.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -63.77 -34.95 79.05 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 122.821 0.448 . . . . 74.34 112.055 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.2 m -69.06 -35.09 76.17 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.157 0.583 . . . . 74.01 111.685 173.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -63.87 -37.13 86.25 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.313 0.578 . . . . 71.44 110.63 173.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.469 HG21 ' HG3' ' A' ' 47' ' ' LYS . 90.7 mt -66.55 -36.08 76.41 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 C-N-CA 123.74 0.816 . . . . 75.44 111.603 175.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.455 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 47.9 mm -54.69 -43.24 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 C-N-CA 123.062 0.545 . . . . 75.32 110.607 174.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -63.34 -45.18 92.43 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 123.905 0.882 . . . . 72.02 111.396 175.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.0 -38.78 89.89 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 123.409 0.684 . . . . 62.03 112.719 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.455 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 67.9 mtm -60.59 -29.97 69.53 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 123.554 0.742 . . . . 73.54 112.527 -177.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -68.3 -38.76 81.93 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.477 0.711 . . . . 54.33 111.873 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.8 mm -88.63 -35.71 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.246 0.619 . . . . 73.35 111.621 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.464 ' HB ' ' HG2' ' A' ' 17' ' ' GLN . 66.5 p -81.1 -51.43 8.47 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.025 0.53 . . . . 54.14 112.022 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.1 24.4 27.15 Favored Glycine 0 N--CA 1.474 1.224 0 CA-C-N 115.909 -0.587 . . . . 72.34 112.379 -170.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.461 HD22 ' HZ2' ' A' ' 13' ' ' LYS . 72.0 mt -98.78 164.15 12.34 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.177 0.991 . . . . 71.11 110.417 175.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.2 p -85.59 159.07 19.96 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 109.452 -0.573 . . . . 73.32 109.452 168.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HG3' HG21 ' A' ' 36' ' ' ILE . 5.4 ttpm? -59.4 -38.61 80.99 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.917 0.487 . . . . 71.31 110.952 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.434 ' O ' ' HG2' ' A' ' 52' ' ' LYS . . . -57.03 -50.53 63.48 Favored Glycine 0 CA--C 1.542 1.724 0 O-C-N 123.8 0.687 . . . . 74.13 113.738 174.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.8 -43.83 81.31 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.119 0.967 . . . . 64.52 112.503 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.87 -44.72 96.23 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-N 115.633 -0.712 . . . . 64.32 111.291 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -61.56 -34.25 75.26 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 111.834 0.309 . . . . 72.02 111.834 177.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 48' ' ' GLY . 75.0 mmtt -61.4 -51.9 66.81 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.79 0.436 . . . . 75.13 110.559 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -56.22 -48.7 75.93 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.813 0.696 . . . . 71.23 111.493 -176.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -63.46 -35.62 81.05 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.257 0.623 . . . . 75.12 112.315 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.9 m -62.32 -46.92 86.56 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 122.544 0.338 . . . . 53.32 111.141 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.74 -35.59 80.48 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.261 0.624 . . . . 63.12 112.22 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.1 m -71.77 -35.24 70.0 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 123.0 0.52 . . . . 75.54 111.162 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -57.41 -32.15 66.56 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.626 0.77 . . . . 74.14 111.266 170.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -77.75 -41.59 37.11 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 123.288 0.635 . . . . 72.22 111.816 171.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -62.22 -34.15 75.93 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 112.833 0.679 . . . . 52.24 112.833 -174.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -77.54 1.1 20.48 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.325 0.65 . . . . 70.12 112.578 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -147.99 27.89 0.95 Allowed 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 124.469 1.107 . . . . 65.33 110.029 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -58.96 106.62 0.43 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.356 1.062 . . . . 64.42 111.943 -170.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.5 m 62.05 17.0 8.69 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.55 1.14 . . . . 75.1 112.614 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -99.14 142.38 30.7 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.954 0.902 . . . . 75.51 110.36 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.3 t -85.47 -58.35 2.7 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.093 0.557 . . . . 75.3 111.828 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 63.19 -178.4 0.15 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.889 1.276 . . . . 74.23 111.926 -171.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -71.5 -48.38 49.4 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 122.012 -0.43 . . . . 51.23 110.689 174.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.2 m 60.97 93.53 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.875 1.27 . . . . 74.52 111.412 -173.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 tt -63.34 -48.1 79.42 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 108.857 -0.794 . . . . 63.45 108.857 174.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -89.17 91.89 8.97 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.398 0.679 . . . . 74.11 109.684 172.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -70.85 102.84 2.45 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.996 0.519 . . . . 72.23 110.029 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -82.9 74.94 9.83 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 109.644 -0.502 . . . . 72.2 109.644 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 p30 . . . . . 0 CA--C 1.57 1.714 0 C-N-CA 124.548 1.139 . . . . 74.23 110.676 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 120.731 0.3 . . . . 64.4 111.33 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -123.43 -30.34 3.67 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.134 0.974 . . . . 72.13 110.418 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.0 mtp 67.3 162.39 0.13 Allowed Pre-proline 0 CA--C 1.573 1.856 0 C-N-CA 124.439 1.096 . . . . 72.53 111.996 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -74.04 39.7 0.54 Allowed 'Trans proline' 0 C--N 1.385 2.47 0 C-N-CA 122.916 2.41 . . . . 74.01 114.454 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.77 72.73 4.33 Favored 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 123.829 0.852 . . . . 61.12 111.478 173.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -178.88 112.96 0.06 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.352 1.061 . . . . 65.43 110.638 173.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -139.76 129.34 24.37 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.758 0.823 . . . . 71.2 110.142 174.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.55 74.53 1.92 Allowed Glycine 0 CA--C 1.533 1.218 0 O-C-N 123.267 0.354 . . . . 71.23 113.306 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.2 mm -79.86 80.05 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.174 0 CA-C-O 121.652 0.739 . . . . 74.41 109.568 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -135.33 -70.09 0.49 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.804 0.842 . . . . 72.4 110.266 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.36 14.83 6.01 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 113.351 0.871 . . . . 74.24 113.351 -172.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -79.26 97.88 6.43 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.096 0.558 . . . . 70.2 111.483 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -70.95 106.55 3.69 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.12 0.968 . . . . 74.21 109.649 173.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.444 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 30.1 p -75.09 158.37 33.23 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.336 0.654 . . . . 74.51 112.61 -169.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' A' ' 18' ' ' LEU . 65.2 tttp -54.33 -32.57 56.96 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.642 1.177 . . . . 73.53 112.453 177.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -66.02 -42.57 89.47 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.218 1.007 . . . . 71.15 110.719 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -68.87 -41.18 78.73 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.436 0.694 . . . . 74.44 111.036 176.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.569 HD22 ' HE1' ' A' ' 53' ' ' TRP . 82.2 mt -57.95 -38.86 76.77 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.749 0.82 . . . . 73.23 111.497 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.04 -51.25 66.91 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 124.336 1.054 . . . . 55.13 113.474 -175.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -67.35 -34.33 77.1 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.432 0.693 . . . . 62.51 111.343 -177.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.565 HD22 HG23 ' A' ' 50' ' ' ILE . 62.0 mt -70.44 -35.93 73.64 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 114.956 -1.02 . . . . 73.51 111.233 176.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -62.28 -51.18 68.75 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.691 0.796 . . . . 41.44 110.886 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -63.45 -31.52 53.2 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.329 0 CA-C-N 115.676 -0.693 . . . . 60.3 111.214 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.1 t -68.78 -45.46 71.28 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 123.23 0.612 . . . . 62.34 111.154 172.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -62.89 -35.13 79.03 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.314 1.046 . . . . 63.23 111.667 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.6 -18.34 61.98 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.997 0.919 . . . . 64.42 112.901 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -94.89 -54.82 3.32 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.97 0.508 . . . . 73.45 109.742 166.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -155.11 144.37 21.07 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.181 0.808 . . . . 74.41 113.181 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.687 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 26.0 tt0 -71.01 -29.94 66.02 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.355 0.662 . . . . 74.11 110.604 165.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -107.5 88.71 4.35 Favored Pre-proline 0 CA--C 1.558 1.288 0 C-N-CA 124.333 1.053 . . . . 72.22 109.73 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 29' ' ' GLN . 43.4 Cg_endo -91.9 -168.56 0.24 Allowed 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 123.159 2.573 . . . . 63.43 112.698 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.459 ' O ' HG13 ' A' ' 36' ' ' ILE . 83.1 m-70 -87.05 146.34 26.13 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.148 0.579 . . . . 73.12 111.367 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.22 -53.22 60.74 Favored 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 123.761 0.824 . . . . 60.34 112.453 -172.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.2 t -62.56 -32.22 73.16 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 123.536 0.734 . . . . 52.54 112.429 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -66.36 -38.09 86.8 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 123.898 0.879 . . . . 73.21 111.45 176.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 32' ' ' HIS . 49.4 mt -68.9 -36.42 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 C-N-CA 123.135 0.574 . . . . 73.35 110.539 175.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.3 mt -58.47 -41.36 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 123.112 0.565 . . . . 53.44 110.809 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.449 ' O ' HG12 ' A' ' 42' ' ' ILE . 38.5 ttm180 -68.93 -37.63 79.02 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 116.218 -0.446 . . . . 71.4 111.266 174.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.1 mt -59.67 -34.6 73.05 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.71 0.404 . . . . 73.21 111.336 173.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 52.6 mtm -63.87 -38.28 90.5 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 122.825 0.45 . . . . 32.41 110.886 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -69.88 -34.97 74.27 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.657 0.783 . . . . 72.42 111.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 38' ' ' ARG . 43.7 mm -78.72 -46.22 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 123.136 0.574 . . . . 65.13 111.53 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.6 p -83.47 -47.65 11.15 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.065 0.546 . . . . 70.44 112.054 -174.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.11 7.73 43.09 Favored Glycine 0 N--CA 1.48 1.618 0 C-N-CA 123.054 0.359 . . . . 40.23 112.749 -172.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.4 mt -88.46 174.87 7.86 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.308 1.043 . . . . 74.0 111.185 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.483 ' OG1' ' HG2' ' A' ' 49' ' ' GLU . 11.8 p -96.18 170.45 9.25 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 120.887 0.375 . . . . 63.24 110.821 175.015 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -56.62 -41.18 76.65 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.224 1.01 . . . . 63.34 111.183 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.93 -36.83 51.49 Favored Glycine 0 CA--C 1.537 1.445 0 CA-C-N 114.784 -1.098 . . . . 64.24 114.204 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.483 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 34.5 mm-40 -63.42 -35.61 80.99 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 118.107 0.954 . . . . 72.03 112.508 -178.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.565 HG23 HD22 ' A' ' 21' ' ' LEU . 89.9 mt -68.43 -40.75 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 CA-C-N 115.506 -0.77 . . . . 74.54 111.136 178.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -70.42 -34.94 73.07 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.043 0.537 . . . . 75.4 112.07 175.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -60.19 -40.55 90.43 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.92 0.488 . . . . 73.14 110.265 171.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.569 ' HE1' HD22 ' A' ' 18' ' ' LEU . 86.1 t90 -62.75 -48.93 77.06 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 123.902 0.751 . . . . 74.44 110.717 176.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.687 ' HB3' ' HG3' ' A' ' 29' ' ' GLN . 19.4 m-85 -56.28 -49.52 74.0 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.127 0.571 . . . . 73.13 111.956 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -63.65 -43.2 97.47 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.561 0.744 . . . . 72.33 111.906 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.3 -37.87 78.0 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.938 0.895 . . . . 54.1 111.707 -177.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.443 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 87.6 m -68.03 -33.49 74.69 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.799 0.84 . . . . 51.34 111.185 178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -60.97 -34.1 74.24 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 122.573 0.349 . . . . 74.43 110.864 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -64.5 -44.86 89.6 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 116.053 -0.521 . . . . 54.12 110.62 170.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -63.51 -29.19 70.5 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.081 0.552 . . . . 62.1 112.211 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 57' ' ' THR . 12.6 mm-40 -77.74 -26.34 49.9 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.063 0.545 . . . . 72.4 111.751 177.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -104.94 4.97 32.42 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.099 0.559 . . . . 64.24 111.978 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -65.62 146.5 54.75 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.039 0.936 . . . . 74.42 111.28 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.4 m -85.33 106.76 16.96 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.311 0.644 . . . . 53.02 110.581 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -78.56 94.09 4.93 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.274 0.559 . . . . 61.51 111.457 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.8 p -76.68 128.37 34.54 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 115.794 -0.639 . . . . 74.14 109.68 171.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 68.32 171.65 0.28 Allowed 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.533 1.133 . . . . 72.2 112.008 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -65.73 -47.11 76.42 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.129 0.572 . . . . 74.31 112.106 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 68.4 m 63.99 13.41 7.65 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 114.659 1.355 . . . . 64.33 114.659 172.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.6 tt -76.77 -51.93 10.5 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 109.732 -0.47 . . . . 65.32 109.732 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 69.56 119.92 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 125.287 1.435 . . . . 72.43 111.734 -177.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -66.61 156.09 36.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.879 0.871 . . . . 64.34 112.603 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -129.67 106.04 8.45 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.967 0.907 . . . . 73.3 109.659 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.97 -0.538 . . . . 74.22 112.183 -179.124 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.0 t . . . . . 0 N--CA 1.494 1.76 0 N-CA-C 111.491 0.182 . . . . 75.22 111.491 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -64.91 -43.92 91.23 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.704 0.802 . . . . 61.02 110.823 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -105.75 151.85 40.01 Favored Pre-proline 0 CA--C 1.559 1.311 0 C-N-CA 124.154 0.982 . . . . 64.0 109.851 167.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -67.2 163.67 33.32 Favored 'Trans proline' 0 C--N 1.38 2.231 0 C-N-CA 122.528 2.152 . . . . 65.24 112.503 168.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 61.66 41.55 11.99 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.519 1.127 . . . . 73.12 112.667 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 p -67.45 148.56 51.38 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 115.686 -0.688 . . . . 54.21 111.274 174.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -63.44 96.4 0.11 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.534 0.734 . . . . 73.12 112.004 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.49 -132.15 5.43 Favored Glycine 0 CA--C 1.536 1.354 0 CA-C-N 115.767 -0.651 . . . . 63.02 112.672 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.69 99.7 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.169 0 C-N-CA 123.473 0.709 . . . . 72.32 110.551 -177.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -81.99 -50.63 8.9 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 109.507 -0.553 . . . . 73.52 109.507 171.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -152.43 27.82 0.57 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.13 0.972 . . . . 63.02 110.531 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -78.15 105.85 9.65 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.234 1.014 . . . . 52.23 111.042 -175.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? 67.58 114.79 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 125.472 1.509 . . . . 62.42 111.714 -172.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.0 p -70.56 162.39 28.94 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.785 0.834 . . . . 70.11 111.464 -176.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -64.72 -21.59 66.79 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 112.354 0.502 . . . . 52.25 112.354 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.87 -49.97 72.76 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.734 0.814 . . . . 75.43 110.43 172.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -70.48 -47.33 61.11 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.611 -1.177 . . . . 74.25 110.788 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 tt -55.52 -37.9 68.53 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 125.426 1.49 . . . . 65.3 110.875 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -58.89 -50.87 72.41 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.585 0.754 . . . . 71.43 111.73 176.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -61.74 -40.02 93.64 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.165 0.586 . . . . 71.11 111.674 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.9 mt -67.46 -36.44 81.15 Favored 'General case' 0 CA--C 1.555 1.169 0 CA-C-N 115.26 -0.882 . . . . 63.11 111.258 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -68.11 -43.5 78.29 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 123.559 0.744 . . . . 55.54 111.673 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 19' ' ' ALA . 94.1 t -58.47 -40.99 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.166 0.587 . . . . 64.11 110.846 175.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.8 t -72.58 -32.66 66.18 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.175 0.59 . . . . 73.55 111.992 176.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -69.38 -40.67 77.27 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 123.928 0.891 . . . . 65.2 111.994 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.0 -23.74 64.13 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.697 0.799 . . . . 75.34 111.684 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -79.41 -49.73 11.89 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.388 0.675 . . . . 73.13 110.473 171.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -159.97 118.1 2.67 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.24 1.016 . . . . 61.01 109.945 -171.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -70.31 -29.74 66.55 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.797 0.839 . . . . 54.52 111.911 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -116.28 82.54 11.83 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 124.319 1.047 . . . . 73.42 109.314 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -72.55 141.38 34.54 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 122.535 2.157 . . . . 64.35 112.574 -175.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -66.81 154.16 41.57 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.64 -0.709 . . . . 71.5 110.258 172.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.551 ' O ' HG12 ' A' ' 37' ' ' ILE . 7.6 m-20 -55.32 -33.69 63.54 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.06 0.763 . . . . 73.41 113.06 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.8 m -56.92 -45.98 82.32 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.679 0.791 . . . . 44.24 111.855 175.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -66.07 -37.6 86.21 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.329 0.652 . . . . 63.23 111.061 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.431 ' O ' ' HG3' ' A' ' 40' ' ' MET . 79.1 mt -68.82 -35.25 68.67 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 C-N-CA 123.182 0.593 . . . . 63.33 112.092 -178.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 33' ' ' ASP . 42.5 mm -61.36 -44.76 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 CA-C-O 121.558 0.694 . . . . 63.24 109.572 173.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -59.9 -40.72 89.72 Favored 'General case' 0 CA--C 1.559 1.316 0 CA-C-N 114.334 -1.303 . . . . 74.3 111.676 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.7 -37.7 82.65 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.334 0.654 . . . . 73.21 111.424 176.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.502 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 56.7 mtm -62.72 -32.37 73.48 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 122.926 0.49 . . . . 50.04 111.546 177.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -63.44 -35.7 81.28 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.626 0.77 . . . . 64.12 112.349 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.51 -50.59 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 123.027 0.531 . . . . 72.52 111.643 -173.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.8 p -70.81 -38.77 73.32 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.64 0.776 . . . . 72.21 111.986 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.23 -3.37 86.75 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-N 116.65 -0.25 . . . . 51.25 112.937 -173.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . 94.3 mt -74.97 166.98 22.8 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.001 0.921 . . . . 70.52 111.143 176.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.4 p -90.18 166.24 13.49 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.615 0.366 . . . . 73.42 110.128 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -54.97 -35.98 64.87 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 123.556 0.743 . . . . 75.24 111.912 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.01 -44.24 89.06 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 115.376 -0.829 . . . . 74.53 113.36 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 30.3 mm-40 -64.79 -36.82 85.55 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.183 0.593 . . . . 54.02 111.294 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.6 mt -70.94 -55.62 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 115.311 -0.859 . . . . 74.53 111.509 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -58.52 -34.44 70.97 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 118.288 0.494 . . . . 74.41 111.857 176.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.9 -45.82 92.07 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.448 0.468 . . . . 71.44 110.873 175.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -59.96 -48.63 80.92 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.527 0.331 . . . . 71.1 111.282 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -62.59 -38.14 88.97 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 122.998 0.519 . . . . 73.02 112.197 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.8 p -71.18 -38.72 72.12 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.662 0.385 . . . . 64.41 111.588 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.91 -28.12 68.05 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.046 0.538 . . . . 53.44 111.995 173.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.6 m -84.41 -27.74 27.4 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.986 0.514 . . . . 63.31 110.719 176.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -60.44 -36.65 78.71 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.219 0.533 . . . . 72.04 109.999 166.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -70.93 -48.14 55.18 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.031 -0.986 . . . . 74.12 111.205 171.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -58.67 -45.78 88.64 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 123.766 0.826 . . . . 70.11 112.452 -172.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -65.86 -42.91 89.8 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.178 0.591 . . . . 74.4 112.032 -177.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -75.64 -26.36 57.66 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 120.725 0.297 . . . . 73.42 111.369 178.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.47 84.64 7.13 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.716 0.77 . . . . 72.41 109.567 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.0 m -139.19 112.21 7.98 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.13 -0.941 . . . . 73.04 108.863 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.77 120.83 13.21 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.28 0.632 . . . . 65.53 110.243 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.2 t -78.31 78.34 4.78 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.46 0.648 . . . . 74.24 112.05 -173.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -90.35 156.38 18.29 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.584 0.753 . . . . 73.31 109.757 170.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -72.89 82.69 1.2 Allowed 'General case' 0 CA--C 1.558 1.271 0 CA-C-O 122.115 0.96 . . . . 72.53 110.697 -177.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.6 t -90.61 -91.24 0.14 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.467 0.707 . . . . 63.43 111.217 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.3 mp -126.03 163.03 23.94 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.884 0.874 . . . . 73.11 110.689 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -96.63 -12.19 24.25 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.811 0.844 . . . . 61.45 110.68 170.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.3 tt -78.83 138.33 38.12 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.318 1.047 . . . . 60.04 110.866 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -149.32 144.85 26.71 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.074 0.949 . . . . 75.25 109.921 173.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 . . . . . 0 N--CA 1.487 1.391 0 C-N-CA 123.221 0.608 . . . . 71.35 111.732 -175.009 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.0 m . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.807 0.336 . . . . 72.32 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -72.34 110.31 6.67 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 122.812 0.445 . . . . 75.23 110.252 172.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 53.8 ttp -98.22 112.96 63.35 Favored Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 123.165 0.586 . . . . 64.12 110.489 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -89.01 41.8 0.58 Allowed 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 123.219 2.613 . . . . 73.51 113.116 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -69.53 -52.49 25.87 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.365 0.666 . . . . 65.4 111.892 -174.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.3 p -132.84 11.93 4.35 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.777 0.831 . . . . 62.3 110.888 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -107.98 0.67 22.01 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.449 0.699 . . . . 75.23 112.387 -168.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.91 66.61 3.73 Favored Glycine 0 N--CA 1.477 1.428 0 CA-C-O 120.997 0.221 . . . . 62.11 112.582 176.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.6 mt -86.65 126.43 40.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 123.923 0.889 . . . . 71.35 111.206 -174.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -74.31 79.91 1.85 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.885 0.874 . . . . 72.43 110.472 175.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.34 77.08 8.24 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.134 0.574 . . . . 65.53 111.731 -174.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -108.83 -24.96 11.03 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.349 0.659 . . . . 65.01 111.497 173.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -60.78 103.73 0.29 Allowed 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 123.347 0.659 . . . . 74.44 112.418 -176.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 19.6 p -74.76 173.5 10.45 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.963 0.905 . . . . 61.5 111.417 -179.33 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -73.54 -24.11 60.08 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.897 0.479 . . . . 62.11 111.466 174.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.61 -43.95 75.33 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.615 0.721 . . . . 74.42 110.296 174.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -69.57 -45.33 68.94 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 114.966 -1.015 . . . . 75.32 110.799 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.483 HD22 ' HE2' ' A' ' 22' ' ' LYS . 1.3 tt -62.06 -33.9 75.26 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.946 1.298 . . . . 71.43 110.982 -178.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.67 -50.6 73.24 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.691 0.796 . . . . 50.52 111.923 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -65.47 -38.15 88.95 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 116.041 -0.527 . . . . 75.21 111.586 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.486 HD23 HD13 ' A' ' 39' ' ' LEU . 92.8 mt -64.01 -38.73 92.16 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-N 115.672 -0.694 . . . . 73.1 111.631 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.483 ' HE2' HD22 ' A' ' 18' ' ' LEU . 63.0 mttm -61.69 -47.73 83.98 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.355 0.662 . . . . 74.42 111.192 174.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -56.63 -45.31 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.369 0.668 . . . . 72.13 110.905 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.57 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 25.9 t -68.85 -31.22 70.02 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.608 0.763 . . . . 75.34 112.05 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -67.65 -31.86 72.15 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.063 0.945 . . . . 53.51 111.004 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 79.4 mt -65.81 -34.98 79.41 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.377 0.671 . . . . 62.45 111.601 174.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.57 ' HD3' ' HA ' ' A' ' 24' ' ' SER . 0.6 OUTLIER -65.97 -58.88 4.53 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 109.376 -0.602 . . . . 74.34 109.376 170.03 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.412 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -174.56 142.19 0.72 Allowed 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 114.826 -1.079 . . . . 63.01 110.967 -175.159 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -73.54 -26.92 61.07 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 121.391 0.615 . . . . 53.35 111.655 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -114.69 79.91 6.01 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 123.045 0.538 . . . . 72.44 109.646 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HB2' HG13 ' A' ' 36' ' ' ILE . 16.8 Cg_exo -69.39 162.29 42.47 Favored 'Trans proline' 0 C--N 1.385 2.48 0 C-N-CA 122.873 2.382 . . . . 73.31 114.047 -176.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -73.74 -77.34 0.11 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.506 0.723 . . . . 64.3 111.453 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -158.25 -58.16 0.07 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.898 0.479 . . . . 73.32 111.39 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 t -61.9 -30.07 70.63 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.584 0.754 . . . . 65.03 112.178 -177.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.58 -44.72 93.23 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.864 0.866 . . . . 71.35 110.956 174.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.576 HG21 ' HG3' ' A' ' 47' ' ' LYS . 63.7 mt -67.1 -47.39 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 C-N-CA 123.332 0.653 . . . . 64.11 111.073 177.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.9 mt -65.33 -31.89 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.854 0.861 . . . . 75.51 111.324 -177.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -57.71 -46.94 83.71 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.674 0.79 . . . . 75.24 110.464 171.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.486 HD13 HD23 ' A' ' 21' ' ' LEU . 45.3 mt -65.51 -41.26 93.37 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.503 -0.771 . . . . 74.43 111.203 176.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.2 mtp -57.96 -32.98 68.36 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 123.495 0.718 . . . . 70.23 111.927 178.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.22 -30.62 38.62 Favored 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 113.11 0.782 . . . . 63.24 113.11 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.4 mm -97.34 -57.69 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 122.105 -0.372 . . . . 72.25 111.942 -176.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 p -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.268 0.627 . . . . 33.22 111.668 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.17 0.07 80.92 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-N 116.127 -0.488 . . . . 72.24 113.298 -175.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.8 mt -75.86 154.55 36.02 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.616 0.766 . . . . 62.22 111.102 173.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.3 p -79.4 162.1 25.74 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.954 -0.566 . . . . 71.4 110.426 175.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.576 ' HG3' HG21 ' A' ' 36' ' ' ILE . 40.7 ttmt -56.3 -34.91 66.94 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.279 0.632 . . . . 72.23 111.847 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.06 -43.35 95.88 Favored Glycine 0 CA--C 1.537 1.447 0 CA-C-N 116.001 -0.545 . . . . 23.21 113.757 176.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -62.08 -45.69 92.38 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.77 0.828 . . . . 65.34 112.127 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.43 HD13 ' HB2' ' A' ' 39' ' ' LEU . 95.9 mt -62.51 -52.83 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.168 0 C-N-CA 123.962 0.905 . . . . 73.15 111.913 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -56.75 -38.26 72.16 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.516 0.726 . . . . 32.44 112.252 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.54 -48.36 77.83 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.996 -0.547 . . . . 63.5 111.076 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -56.62 -48.47 77.42 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.926 0.766 . . . . 74.31 111.163 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -55.56 -44.96 77.31 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 124.081 0.863 . . . . 72.42 112.114 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.3 t -64.28 -37.75 88.58 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.865 0.466 . . . . 74.11 111.684 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -75.83 -26.51 57.27 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.984 0.735 . . . . 71.32 112.984 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 m -56.14 -42.87 77.61 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.248 0.833 . . . . 70.33 113.248 -171.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -59.44 -33.57 71.44 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 112.478 0.547 . . . . 72.41 112.478 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -65.27 -46.04 82.05 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 120.887 0.375 . . . . 72.4 110.37 172.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -68.54 -20.45 64.55 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.255 0.622 . . . . 64.13 111.212 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.97 26.28 4.76 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 125.087 1.355 . . . . 61.45 109.679 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -156.41 -16.88 0.1 Allowed 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 123.484 0.714 . . . . 74.02 111.478 173.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -73.88 166.74 22.8 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.321 1.048 . . . . 64.32 110.546 175.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.5 m -55.55 96.28 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.771 0.828 . . . . 55.22 111.864 177.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -62.78 150.9 40.22 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.361 1.064 . . . . 74.33 111.104 -176.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.5 m 71.14 64.67 0.16 Allowed 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.057 1.343 . . . . 73.22 109.477 -166.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -80.36 73.23 7.24 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.485 1.114 . . . . 63.44 111.796 -173.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -127.45 153.12 46.68 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.957 0.903 . . . . 73.24 109.764 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.7 t 62.14 72.92 0.48 Allowed 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 124.319 1.048 . . . . 63.33 110.753 -174.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.5 tt -78.3 149.31 33.53 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.877 0.871 . . . . 72.42 111.394 -173.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -49.59 101.99 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 125.047 1.339 . . . . 73.31 112.816 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -103.92 161.04 14.3 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.857 0.863 . . . . 75.4 111.648 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -85.48 173.02 10.54 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.981 0.913 . . . . 53.34 111.48 175.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 t30 . . . . . 0 CA--C 1.573 1.846 0 C-N-CA 124.95 1.3 . . . . 61.03 112.007 -179.421 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 111.809 0.3 . . . . 73.4 111.809 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 64.67 99.46 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.201 1.001 . . . . 75.31 110.759 -170.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 80.0 mtp 70.05 153.62 0.14 Allowed Pre-proline 0 N--CA 1.496 1.829 0 C-N-CA 125.419 1.488 . . . . 75.35 112.225 -172.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -47.9 124.04 9.41 Favored 'Trans proline' 0 C--N 1.392 2.816 0 C-N-CA 123.442 2.761 . . . . 65.41 113.496 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -63.94 123.73 19.74 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.69 0.796 . . . . 72.04 112.703 -172.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 t -84.3 80.9 9.05 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.55 0.74 . . . . 71.31 109.861 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -68.61 118.12 11.21 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.83 0.852 . . . . 71.44 111.507 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.07 -162.92 48.81 Favored Glycine 0 CA--C 1.536 1.38 0 CA-C-N 115.702 -0.681 . . . . 74.22 113.146 -173.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -83.41 82.32 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 CA-C-O 121.798 0.809 . . . . 73.22 109.077 175.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -113.63 -39.8 3.96 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.099 0.96 . . . . 75.52 109.755 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.18 164.49 12.65 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.52 0.728 . . . . 51.23 111.252 174.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -98.06 -177.6 3.79 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 123.984 0.914 . . . . 75.21 111.037 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 60.8 mttp -63.55 110.92 2.14 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.298 0.481 . . . . 71.33 112.298 -174.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.8 p -74.17 165.2 25.57 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.906 0.483 . . . . 75.02 109.843 170.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -68.9 -21.96 64.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 122.083 -0.385 . . . . 74.4 111.08 174.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.27 -39.35 86.06 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.09 0.556 . . . . 73.12 110.948 173.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' OE1' ' HA ' ' A' ' 13' ' ' LYS . 94.9 mt-30 -76.57 -52.94 8.76 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.667 0.746 . . . . 73.14 111.672 176.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.99 -39.36 83.26 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 124.612 1.165 . . . . 75.21 112.179 -169.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.34 -32.66 74.14 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 112.726 0.639 . . . . 63.21 112.726 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -67.32 -38.58 85.15 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.865 0.466 . . . . 62.12 111.514 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.57 -35.95 75.84 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 115.989 -0.55 . . . . 74.3 111.046 173.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.49 ' HA ' ' HH2' ' A' ' 53' ' ' TRP . 7.1 tmtt? -67.73 -52.69 34.59 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.417 1.087 . . . . 72.22 110.849 -173.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.619 HG12 ' HE2' ' A' ' 27' ' ' LYS . 62.3 t -67.54 -35.55 73.52 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 123.593 0.757 . . . . 65.41 110.942 178.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.9 t -63.55 -34.66 78.29 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 122.978 0.511 . . . . 74.22 111.602 174.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -68.49 -42.64 78.34 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.345 0.658 . . . . 63.33 111.374 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.44 -27.66 67.68 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.459 0.704 . . . . 71.51 111.734 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.619 ' HE2' HG12 ' A' ' 23' ' ' VAL . 64.4 mttm -85.5 -39.95 16.89 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.656 0.782 . . . . 64.55 111.55 174.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -159.13 129.21 5.73 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.528 0.731 . . . . 60.53 111.248 -174.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.29 -28.35 31.8 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.905 0.882 . . . . 74.31 111.704 -175.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -131.5 86.74 48.71 Favored Pre-proline 0 N--CA 1.486 1.361 0 C-N-CA 123.469 0.708 . . . . 64.32 110.679 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -77.91 162.51 29.33 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.812 2.341 . . . . 72.15 112.782 175.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -69.92 147.58 50.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.264 0.626 . . . . 74.11 110.893 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -60.24 -35.98 76.69 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.24 0.616 . . . . 63.11 112.64 -177.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m -73.93 -34.14 64.21 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.153 0.581 . . . . 61.43 111.446 176.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.55 -31.96 72.4 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.037 0.935 . . . . 73.23 111.151 173.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -66.92 -33.18 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.793 0.837 . . . . 75.42 111.402 174.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.411 ' HA ' ' SD ' ' A' ' 40' ' ' MET . 65.9 mt -59.49 -35.66 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 122.839 0.456 . . . . 75.23 111.25 176.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -61.43 -48.63 80.32 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.19 0.596 . . . . 74.31 110.895 171.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.59 -29.82 70.28 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.251 0.62 . . . . 65.43 112.277 175.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.411 ' SD ' ' HA ' ' A' ' 37' ' ' ILE . 76.7 mtp -70.51 -36.76 73.94 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.878 0.871 . . . . 73.1 110.961 176.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -78.41 -10.7 59.8 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.413 0.685 . . . . 64.12 112.225 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.1 mm -91.73 -49.3 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.294 0.638 . . . . 74.22 110.53 170.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.8 p -76.73 -58.63 3.17 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.486 0.714 . . . . 65.32 111.73 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.55 1.87 32.79 Favored Glycine 0 N--CA 1.476 1.322 0 CA-C-N 116.061 -0.518 . . . . 61.5 112.313 -169.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 74.5 mt -88.03 178.22 6.72 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.434 1.094 . . . . 71.02 111.124 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.5 p -93.02 169.07 10.7 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.938 0.495 . . . . 63.43 111.08 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -66.93 -33.23 75.12 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.279 0.632 . . . . 74.34 110.666 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.04 -37.29 87.34 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-N 115.562 -0.745 . . . . 75.3 113.196 175.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -57.18 -49.47 75.88 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.853 0.861 . . . . 72.31 111.235 173.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.3 mt -73.87 -46.05 47.72 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.449 0 C-N-CA 123.603 0.761 . . . . 72.01 112.638 -174.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -54.28 -45.58 72.5 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 123.17 0.588 . . . . 75.01 111.433 173.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -65.54 -43.55 89.63 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.994 0.918 . . . . 62.14 111.514 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.49 ' HH2' ' HA ' ' A' ' 22' ' ' LYS . 78.5 t90 -60.65 -49.99 75.29 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.462 0.705 . . . . 75.55 111.88 -174.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -59.79 -34.98 73.75 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.551 0.741 . . . . 70.13 112.023 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.8 m -71.65 -42.8 67.11 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.119 0.568 . . . . 61.53 112.164 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -72.66 -30.94 64.7 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 112.493 0.553 . . . . 71.24 112.493 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.8 m -72.33 -37.09 68.98 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.672 0.789 . . . . 73.14 110.174 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 50.2 ttt85 -63.2 -37.99 89.39 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.376 1.07 . . . . 64.31 111.328 172.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.745 ' HA ' ' HB2' ' A' ' 63' ' ' ASN . 65.1 t80 -67.54 -41.95 83.48 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.988 0.915 . . . . 73.03 111.456 173.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -66.79 -41.73 87.14 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.02 0.928 . . . . 74.35 111.641 -172.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -69.12 -44.81 71.63 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 112.839 0.681 . . . . 60.42 112.839 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.59 -55.09 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 113.705 1.002 . . . . 74.35 113.705 -178.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.745 ' HB2' ' HA ' ' A' ' 59' ' ' TYR . 65.8 t30 61.5 -175.84 0.13 Allowed 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 123.754 0.822 . . . . 75.42 111.147 -172.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.1 t -142.93 -53.9 0.4 Allowed 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.331 -0.856 . . . . 71.3 110.854 171.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -165.17 -40.32 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 112.627 0.603 . . . . 72.13 112.627 177.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.0 m -118.33 -6.53 10.79 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.603 0.761 . . . . 75.4 112.665 -172.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 60.33 19.64 9.18 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 124.553 1.141 . . . . 75.32 112.39 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 54.87 84.53 0.07 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 124.796 1.238 . . . . 73.33 111.946 -169.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 28.9 p -77.36 -14.02 59.81 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 115.988 -0.551 . . . . 74.35 110.857 171.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.9 mt -76.9 137.79 39.34 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.002 0.921 . . . . 55.11 112.689 -178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -117.79 131.8 56.53 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.114 0.966 . . . . 72.24 109.158 170.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.12 136.44 57.95 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 109.072 -0.714 . . . . 73.22 109.072 173.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -58.21 90.93 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.632 0.773 . . . . 71.32 112.234 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 CA--C 1.57 1.745 0 C-N-CA 123.768 0.827 . . . . 74.42 111.028 178.268 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.5 p . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 119.484 -0.293 . . . . 74.02 111.111 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.9 -36.26 67.47 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.985 0.514 . . . . 71.41 111.496 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.71 -49.81 64.84 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.936 0.494 . . . . 63.34 111.901 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -62.89 -41.5 99.44 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.674 0.749 . . . . 65.54 111.368 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 tt -70.07 -33.67 72.2 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 125.335 1.454 . . . . 63.41 110.808 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.82 -33.2 70.44 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.257 0.623 . . . . 72.12 112.487 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -65.28 -37.61 87.69 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.198 0.523 . . . . 65.2 110.702 173.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.38 -38.03 89.55 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 115.518 -0.765 . . . . 71.45 110.887 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 94.3 mttt -60.66 -43.54 97.52 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 122.73 0.412 . . . . 71.34 111.828 174.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.94 -41.51 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 123.142 0.577 . . . . 74.11 111.215 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.45 ' HB3' ' HZ ' ' A' ' 54' ' ' PHE . 38.7 t -66.79 -35.66 80.59 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.522 -0.763 . . . . 74.15 112.094 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -72.07 -38.05 69.52 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 122.737 0.415 . . . . 73.45 111.358 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 87.3 mt -67.06 -38.09 85.18 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.616 0.766 . . . . 72.25 112.027 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HG3' ' ND2' ' A' ' 28' ' ' ASN . 19.8 ptpt -76.11 -39.53 54.98 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.367 0.267 . . . . 73.52 111.377 177.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.451 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 5.3 p30 -159.56 124.98 4.16 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.538 0.735 . . . . 50.54 110.967 174.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -73.15 -14.18 61.32 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.775 0.83 . . . . 64.11 112.537 -173.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -120.66 89.85 45.36 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 124.446 1.099 . . . . 62.14 108.574 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.451 ' HA ' ' OD1' ' A' ' 28' ' ' ASN . 21.3 Cg_exo -65.05 137.04 50.79 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.241 2.627 . . . . 73.34 114.339 -171.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -73.31 149.4 42.7 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.214 0.606 . . . . 74.21 109.95 171.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.38 -40.83 78.99 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.509 0.723 . . . . 63.42 112.629 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.0 m -63.37 -36.9 85.23 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.368 0.667 . . . . 50.35 112.172 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 13.2 tp10 -67.89 -38.66 83.29 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.231 0.612 . . . . 61.41 110.855 175.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.507 HG21 ' HG3' ' A' ' 47' ' ' LYS . 93.3 mt -64.11 -41.7 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.794 0.837 . . . . 60.04 111.661 176.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.45 -40.13 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 122.625 0.37 . . . . 74.34 110.539 174.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -61.14 -38.31 85.94 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.221 0.608 . . . . 70.21 111.794 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 84.4 mt -63.93 -43.85 94.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.939 0.496 . . . . 71.1 110.658 173.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 82.6 mtp -58.04 -33.61 69.18 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 123.835 0.854 . . . . 74.51 111.893 175.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -69.65 -52.63 24.11 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.499 0.72 . . . . 75.24 112.16 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.6 mm -70.07 -49.42 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.24 0.616 . . . . 73.45 111.776 -174.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.1 p -81.78 -38.19 26.0 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.521 0.728 . . . . 63.04 112.317 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.77 13.58 56.48 Favored Glycine 0 CA--C 1.537 1.413 0 CA-C-N 116.224 -0.444 . . . . 44.34 113.164 -172.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.3 mt -84.9 177.33 8.0 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.737 0.815 . . . . 63.23 112.768 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.9 p -101.54 153.06 20.06 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 114.949 -1.023 . . . . 74.13 110.008 173.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.507 ' HG3' HG21 ' A' ' 36' ' ' ILE . 37.2 ttmt -60.18 -24.77 65.04 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 123.653 0.781 . . . . 74.21 112.001 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.88 -47.61 53.9 Favored Glycine 0 C--N 1.353 1.487 0 CA-C-N 116.34 -0.391 . . . . 50.25 114.009 174.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -61.84 -35.46 78.33 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 123.148 0.579 . . . . 62.41 111.924 176.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.484 HG21 HG23 ' A' ' 36' ' ' ILE . 79.9 mt -68.97 -53.47 25.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 CA-C-N 115.217 -0.902 . . . . 74.13 111.221 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -57.45 -37.16 72.39 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.299 0.639 . . . . 64.52 112.095 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.25 -52.61 64.94 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.791 0.682 . . . . 71.51 110.707 173.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -59.56 -46.92 87.49 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.794 0.838 . . . . 73.05 112.685 -174.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.45 ' HZ ' ' HB3' ' A' ' 24' ' ' SER . 67.9 m-85 -64.74 -29.2 70.17 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 112.818 0.673 . . . . 73.14 112.818 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.5 m -68.63 -38.07 80.24 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 120.809 0.338 . . . . 72.22 110.674 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -67.04 -41.81 85.9 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.179 0.591 . . . . 61.33 111.132 174.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.5 m -73.34 -27.77 61.69 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.026 0.93 . . . . 73.32 111.822 -176.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.164 0 C-N-CA 122.633 0.373 . . . . 64.32 110.585 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 p . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 119.822 -0.132 . . . . 55.15 111.163 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -65.28 -35.67 81.74 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.145 0.429 . . . . 54.12 111.899 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -72.23 -37.68 69.11 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.642 0.777 . . . . 74.2 111.532 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -70.39 -42.96 71.02 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.28 0.632 . . . . 70.23 111.023 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.8 -34.88 79.4 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.908 1.283 . . . . 72.43 110.569 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.11 90.43 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.668 0.787 . . . . 60.1 112.397 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -67.05 -40.69 87.17 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.003 0.521 . . . . 73.44 111.485 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.438 HD22 HG23 ' A' ' 50' ' ' ILE . 63.7 mt -66.69 -33.03 74.75 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.146 -0.934 . . . . 45.52 111.012 176.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.434 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 5.5 tmtt? -67.7 -49.9 60.33 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.213 1.005 . . . . 64.42 109.929 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.64 -38.93 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.699 0.8 . . . . 71.14 111.289 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.5 t -69.66 -26.26 64.3 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 115.751 -0.659 . . . . 51.24 111.737 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.451 ' HB2' ' HZ3' ' A' ' 53' ' ' TRP . 66.4 t80 -76.87 -34.43 57.8 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.551 0.74 . . . . 72.34 110.994 174.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 95.2 mt -65.29 -42.71 92.86 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.655 0.782 . . . . 72.41 111.496 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -70.28 -35.79 73.96 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 122.296 0.239 . . . . 75.33 111.327 176.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -167.43 128.24 1.49 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.565 0.746 . . . . 73.42 110.804 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -68.77 -25.66 64.83 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.114 0.566 . . . . 74.44 112.204 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -124.23 73.31 58.14 Favored Pre-proline 0 CA--C 1.559 1.294 0 C-N-CA 123.716 0.807 . . . . 74.54 109.873 177.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -72.97 151.97 51.06 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.225 1.95 . . . . 74.34 111.96 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -65.32 153.4 41.26 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.673 0.389 . . . . 74.24 111.034 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -66.08 -17.69 64.86 Favored 'General case' 0 CA--C 1.564 1.511 0 N-CA-C 112.653 0.612 . . . . 75.1 112.653 -173.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.1 m -67.31 -35.29 79.14 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.516 0.727 . . . . 73.32 111.631 172.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.64 -42.91 90.92 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.046 0.538 . . . . 73.12 110.031 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -58.65 -37.84 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 124.251 1.021 . . . . 75.35 112.184 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.456 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 36.7 mm -54.65 -50.34 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 C-N-CA 123.319 0.648 . . . . 60.44 111.126 173.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -66.24 -40.72 90.41 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.425 -0.807 . . . . 72.12 111.273 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.57 -37.55 86.64 Favored 'General case' 0 C--O 1.21 -1.017 0 C-N-CA 123.467 0.707 . . . . 72.22 111.353 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.456 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 68.4 mtm -61.85 -32.89 73.26 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 118.657 0.662 . . . . 61.34 111.872 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -73.49 -41.74 62.74 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.061 0.545 . . . . 75.22 111.595 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.8 mm -78.14 -45.14 27.3 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 C-N-CA 122.994 0.518 . . . . 75.45 111.563 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.9 p -77.44 -52.44 9.1 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.597 0.759 . . . . 62.3 111.452 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.42 -3.99 37.42 Favored Glycine 0 CA--C 1.538 1.496 0 CA-C-N 116.142 -0.481 . . . . 71.32 113.091 -171.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -75.5 173.96 10.29 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.848 0.859 . . . . 74.22 111.737 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.9 p -102.36 175.78 5.4 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.41 0.684 . . . . 75.45 112.235 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -55.49 -52.08 64.84 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 125.143 1.377 . . . . 64.35 112.356 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.46 -35.53 55.9 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-N 115.336 -0.847 . . . . 44.43 114.039 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -53.77 -53.03 57.94 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.65 0.78 . . . . 71.42 111.993 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.438 HG23 HD22 ' A' ' 21' ' ' LEU . 48.8 mt -64.53 -42.0 93.92 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 CA-C-N 115.625 -0.716 . . . . 74.42 111.956 -177.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -59.63 -42.03 91.81 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 111.763 0.282 . . . . 63.54 111.763 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -63.52 -31.91 73.21 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.443 0.697 . . . . 71.45 112.221 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.451 ' HZ3' ' HB2' ' A' ' 25' ' ' TYR . 77.3 t90 -68.6 -50.95 47.61 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 117.9 0.318 . . . . 64.12 110.704 177.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 74.4 m-85 -66.45 -36.18 82.14 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 122.654 0.382 . . . . 73.12 111.825 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 t -67.07 -49.89 63.61 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.087 0.555 . . . . 75.25 111.489 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -75.89 -45.97 32.58 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.113 -0.494 . . . . 54.11 112.082 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.7 m -59.08 -35.15 72.88 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.67 0.788 . . . . 74.23 111.548 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 2.6 tmm_? . . . . . 0 CA--C 1.557 1.228 0 C-N-CA 123.717 0.807 . . . . 72.2 110.742 174.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.6 p . . . . . 0 N--CA 1.486 1.35 0 N-CA-C 112.069 0.396 . . . . 73.53 112.069 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -63.07 -50.59 69.98 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.93 0.715 . . . . 70.24 112.93 -169.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 1.2 pm0 -62.21 -27.37 68.93 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 112.576 0.584 . . . . 64.43 112.576 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.87 -50.74 61.53 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.212 0.53 . . . . 65.45 110.887 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.469 HD22 ' HE1' ' A' ' 53' ' ' TRP . 92.8 mt -63.95 -30.88 71.92 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 115.672 -0.695 . . . . 70.42 112.084 177.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.43 -47.21 82.83 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.951 0.9 . . . . 61.44 111.995 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.528 ' HG3' HG22 ' A' ' 42' ' ' ILE . 18.7 mm-40 -63.85 -38.74 92.21 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.062 0.545 . . . . 75.12 111.268 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.47 HD11 HD12 ' A' ' 45' ' ' LEU . 98.5 mt -64.57 -37.21 86.78 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 115.227 -0.897 . . . . 70.35 111.538 176.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -72.86 -34.2 66.59 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 112.732 0.642 . . . . 74.31 112.732 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.3 -42.52 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-O 121.273 0.559 . . . . 71.42 110.112 172.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 t -64.24 -37.32 87.07 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 115.26 -0.882 . . . . 73.33 111.447 173.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.449 ' OH ' ' HA ' ' A' ' 58' ' ' ARG . 85.2 t80 -69.19 -47.93 63.53 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.613 0.765 . . . . 74.31 112.534 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.38 -34.1 76.06 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.079 0.552 . . . . 72.43 111.517 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -74.73 -47.87 28.95 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 123.709 0.804 . . . . 61.0 111.015 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 31' ' ' PRO . 1.6 p-10 -146.59 105.37 3.84 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.666 1.186 . . . . 72.04 110.664 -174.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -71.15 -24.08 62.19 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.279 0.632 . . . . 73.15 110.791 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -126.86 92.29 44.97 Favored Pre-proline 0 CA--C 1.564 1.514 0 C-N-CA 124.5 1.12 . . . . 74.33 109.429 178.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.415 ' HB3' ' ND2' ' A' ' 28' ' ' ASN . 41.7 Cg_endo -87.96 169.73 6.37 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 123.197 2.598 . . . . 62.54 114.327 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -82.98 169.23 16.21 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.808 0.843 . . . . 71.34 111.535 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.87 -45.79 90.91 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.53 0.732 . . . . 73.11 112.059 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.0 t -62.34 -32.2 72.94 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.918 0.887 . . . . 41.32 112.353 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -62.26 -47.93 82.16 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.102 0.561 . . . . 62.22 110.864 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.458 ' O ' ' HG3' ' A' ' 40' ' ' MET . 66.2 mt -63.39 -38.01 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 CA-C-N 115.105 -0.952 . . . . 75.23 111.534 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.8 -46.24 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 123.138 0.575 . . . . 73.51 111.315 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.407 ' O ' HG12 ' A' ' 42' ' ' ILE . 54.9 ttt180 -58.76 -49.52 77.35 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.709 -0.678 . . . . 73.15 110.91 173.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.54 -31.15 67.67 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.683 0.793 . . . . 71.43 112.569 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 52.7 mtm -62.82 -40.7 98.2 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 120.878 0.37 . . . . 74.12 111.267 175.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -77.23 -32.29 55.69 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.337 0.655 . . . . 72.4 112.249 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.528 HG22 ' HG3' ' A' ' 20' ' ' GLU . 45.6 mm -76.56 -39.25 32.51 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.134 0 C-N-CA 122.957 0.503 . . . . 72.01 110.732 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.7 p -90.65 -61.62 1.63 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.644 0.378 . . . . 74.13 111.333 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.66 -3.91 8.66 Favored Glycine 0 N--CA 1.481 1.639 0 C-N-CA 123.309 0.48 . . . . 45.11 112.744 -172.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.47 HD12 HD11 ' A' ' 21' ' ' LEU . 85.5 mt -85.43 172.58 10.92 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.843 0.857 . . . . 72.24 112.089 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.7 p -96.57 163.58 12.97 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.498 0.719 . . . . 75.21 111.024 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -57.98 -40.36 80.47 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.793 0.837 . . . . 60.44 112.164 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.19 -42.05 99.72 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-N 116.487 -0.324 . . . . 71.14 113.457 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -65.23 -41.36 94.48 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.232 0.613 . . . . 72.25 111.819 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.2 mt -74.03 -43.28 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.234 0.613 . . . . 73.41 112.005 -174.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -60.31 -45.1 94.57 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 122.662 0.385 . . . . 43.14 111.03 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -62.1 -39.97 94.28 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.695 -0.684 . . . . 53.11 111.101 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.469 ' HE1' HD22 ' A' ' 18' ' ' LEU . 85.9 t90 -57.98 -48.19 80.75 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 122.734 0.414 . . . . 74.45 111.134 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 52.9 m-85 -59.34 -31.01 68.8 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 122.99 0.516 . . . . 75.45 112.114 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 t -70.26 -53.72 15.72 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.407 0.683 . . . . 20.53 111.718 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.82 -35.87 81.9 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.849 0.86 . . . . 71.02 112.69 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.9 m -75.16 -27.75 59.84 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.523 0.729 . . . . 63.23 110.88 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 C-N-CA 123.065 0.546 . . . . 63.54 110.116 170.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.0 p . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 110.073 -0.343 . . . . 62.45 110.073 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -62.4 -36.21 81.61 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.412 0.285 . . . . 74.03 110.279 174.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.05 -50.15 71.78 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.683 0.793 . . . . 53.51 112.082 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 92.8 mt-30 -66.07 -46.64 76.99 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.539 0.736 . . . . 64.23 111.457 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.95 -33.73 76.48 Favored 'General case' 0 CA--C 1.563 1.453 0 C-N-CA 124.573 1.149 . . . . 72.24 111.128 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -66.59 -40.84 89.09 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.467 0.707 . . . . 71.33 112.551 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -65.49 -35.72 81.74 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 121.223 0.535 . . . . 64.51 111.566 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.535 HD22 HG23 ' A' ' 50' ' ' ILE . 71.7 mt -64.46 -34.84 79.14 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 115.59 -0.732 . . . . 64.44 110.995 174.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -67.82 -39.9 83.86 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.258 0.623 . . . . 72.51 111.991 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 19' ' ' ALA . 94.0 t -57.39 -35.0 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 122.918 0.487 . . . . 73.2 111.331 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.7 t -74.74 -50.03 18.9 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.816 0.446 . . . . 72.33 111.757 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' HB2' ' HZ3' ' A' ' 53' ' ' TRP . 57.1 t80 -59.39 -36.54 76.01 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.526 1.13 . . . . 75.35 112.973 -173.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.18 -17.5 61.93 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.635 0.774 . . . . 72.3 113.034 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -89.07 -57.32 2.94 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 109.504 -0.554 . . . . 65.55 109.504 166.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -145.97 137.69 25.02 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.297 0.639 . . . . 72.23 110.348 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -72.12 -34.64 68.73 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.813 0.445 . . . . 73.33 110.932 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.558 ' HE1' ' HD3' ' A' ' 58' ' ' ARG . 89.1 m-85 -131.94 87.33 44.93 Favored Pre-proline 0 CA--C 1.558 1.281 0 C-N-CA 123.701 0.8 . . . . 75.54 110.336 177.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -80.29 -174.69 2.36 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 123.186 2.591 . . . . 75.34 113.107 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -68.18 157.71 34.81 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.672 0.389 . . . . 74.3 111.418 174.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.446 ' O ' HG13 ' A' ' 37' ' ' ILE . 9.4 p-10 -63.1 -28.06 69.81 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 112.427 0.529 . . . . 75.11 112.427 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.2 p -63.57 -39.09 93.5 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.639 0.776 . . . . 71.5 112.302 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -65.45 -36.19 83.17 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.766 0.826 . . . . 71.21 110.75 176.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -68.79 -33.89 61.79 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 CA-C-N 115.041 -0.982 . . . . 71.02 111.213 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 33' ' ' ASP . 84.3 mt -67.42 -35.45 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 123.063 0.545 . . . . 73.22 110.851 174.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -57.06 -45.93 82.86 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 122.917 0.487 . . . . 63.54 110.538 170.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.442 ' HB2' HD13 ' A' ' 50' ' ' ILE . 64.7 mt -63.84 -38.45 91.15 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 115.737 -0.665 . . . . 75.04 111.261 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.6 mtp -62.13 -35.9 80.16 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 123.596 0.758 . . . . 63.33 111.97 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -72.16 -23.12 61.24 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.503 0.721 . . . . 72.04 112.864 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.9 mm -100.7 -38.18 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 122.635 0.374 . . . . 63.34 111.579 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.1 p -85.65 -29.77 23.76 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.604 0.762 . . . . 73.4 111.751 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.46 8.44 87.76 Favored Glycine 0 CA--C 1.541 1.706 0 CA-C-N 116.525 -0.307 . . . . 73.14 113.536 -173.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -90.68 -175.25 4.35 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.939 0.896 . . . . 71.04 111.149 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.8 p -109.04 172.5 6.81 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.555 0.342 . . . . 74.42 110.166 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -54.76 -34.43 62.56 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.552 0.741 . . . . 72.42 111.558 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.21 -47.8 89.07 Favored Glycine 0 CA--C 1.539 1.573 0 N-CA-C 114.932 0.733 . . . . 41.24 114.932 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -66.58 -35.22 79.69 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 117.429 0.615 . . . . 75.1 111.639 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.535 HG23 HD22 ' A' ' 21' ' ' LEU . 69.0 mt -74.17 -42.46 51.48 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 CA-C-N 115.457 -0.792 . . . . 74.33 111.74 -177.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -66.34 -41.31 89.77 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.42 0.688 . . . . 74.45 111.263 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -57.91 -41.05 81.86 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.355 0.662 . . . . 62.35 111.106 172.55 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.422 ' HZ3' ' HB2' ' A' ' 25' ' ' TYR . 80.1 t90 -65.28 -48.25 73.81 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.281 -0.418 . . . . 64.44 111.102 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -56.13 -43.01 77.81 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.163 0.585 . . . . 74.02 111.97 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -68.6 -51.21 44.97 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.53 0.732 . . . . 62.31 112.13 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.54 -27.33 67.67 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.629 0.771 . . . . 64.5 112.754 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.6 m -72.38 -28.31 62.93 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 122.768 0.427 . . . . 74.33 111.289 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.558 ' HD3' ' HE1' ' A' ' 30' ' ' PHE . 56.2 mtm180 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.915 -0.491 . . . . 74.44 110.776 170.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.7 p . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 110.466 -0.198 . . . . 60.12 110.466 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.69 -30.75 70.12 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.14 0.576 . . . . 62.11 111.494 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.53 -49.77 61.79 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.032 0.933 . . . . 70.23 110.406 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -63.72 -40.67 97.33 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.706 0.803 . . . . 74.33 111.915 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.37 -37.77 86.04 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.504 1.122 . . . . 71.43 110.954 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.59 84.2 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.276 0.63 . . . . 75.42 112.345 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -62.04 -41.43 98.11 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.321 0.582 . . . . 73.22 110.841 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.68 -34.59 75.94 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 115.11 -0.95 . . . . 74.34 111.433 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -67.8 -43.82 78.8 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.343 0.657 . . . . 71.2 112.232 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.15 -38.58 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 122.617 0.367 . . . . 75.32 110.786 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.9 t -65.12 -35.98 82.82 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.113 0.565 . . . . 72.1 111.414 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -68.42 -41.13 80.82 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.53 0.732 . . . . 73.13 111.666 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.1 -37.67 83.59 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.437 0.695 . . . . 71.13 111.707 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -74.68 -41.59 59.98 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.888 0.475 . . . . 75.22 111.771 175.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -159.65 126.83 4.62 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 122.673 0.389 . . . . 72.22 111.339 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -73.64 -19.54 60.82 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.28 0.632 . . . . 74.12 112.289 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -117.59 80.89 13.86 Favored Pre-proline 0 CA--C 1.558 1.279 0 C-N-CA 123.872 0.869 . . . . 73.42 110.793 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.94 131.99 20.62 Favored 'Trans proline' 0 C--N 1.374 1.919 0 C-N-CA 122.096 1.864 . . . . 53.12 111.545 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -70.99 142.46 50.97 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.968 0.507 . . . . 73.35 110.496 177.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.22 -27.11 43.83 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.996 1.11 . . . . 75.21 113.996 -174.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.3 p -65.58 -48.71 71.43 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.473 0.709 . . . . 72.01 111.318 171.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 38' ' ' ARG . 43.4 tt0 -67.52 -26.03 66.13 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.098 0.959 . . . . 72.15 111.971 175.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.627 HD13 ' HG2' ' A' ' 51' ' ' LYS . 93.1 mt -69.71 -33.98 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 122.81 0.444 . . . . 72.54 110.518 175.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.12 -35.21 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 122.513 0.325 . . . . 63.53 110.501 171.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.428 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 56.3 ttt85 -59.28 -50.98 71.9 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 122.725 0.41 . . . . 65.01 110.462 170.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.32 -25.53 68.08 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.496 0.718 . . . . 75.34 112.383 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 86.5 mtp -70.57 -32.95 70.55 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.042 0.537 . . . . 61.2 110.906 174.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -81.04 -24.35 37.94 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.274 0.629 . . . . 71.31 112.029 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.0 mm -83.75 -57.6 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.385 0.674 . . . . 71.31 111.095 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -80.77 -34.07 34.48 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 112.514 0.561 . . . . 72.52 112.514 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.91 12.87 78.97 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 116.869 -0.151 . . . . 73.24 113.364 -174.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.7 mt -88.92 164.24 15.23 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.558 0.743 . . . . 73.55 110.515 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.5 p -79.01 161.87 26.32 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.643 0.377 . . . . 62.0 111.111 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -55.47 -41.72 73.36 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.231 0.612 . . . . 74.12 111.18 172.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.91 -37.64 94.94 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 116.057 -0.52 . . . . 53.24 113.743 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -71.92 -44.15 64.12 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 117.167 0.484 . . . . 72.12 111.701 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.3 mt -65.1 -52.27 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 123.27 0.628 . . . . 71.11 111.792 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.627 ' HG2' HD13 ' A' ' 36' ' ' ILE . 35.8 mtpt -62.12 -42.51 99.31 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 112.22 0.452 . . . . 62.23 112.22 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -66.49 -31.89 72.91 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 123.076 0.55 . . . . 71.31 110.956 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -62.57 -49.88 73.51 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.949 0.5 . . . . 74.51 110.138 172.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -64.55 -34.63 78.68 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.334 0.654 . . . . 72.45 111.586 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 m -67.58 -39.68 84.87 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.323 0.649 . . . . 74.54 111.103 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.26 -47.26 74.28 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.833 0.453 . . . . 73.54 110.73 175.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.2 m -63.75 -33.01 74.71 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 123.561 0.744 . . . . 73.3 111.171 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 . . . . . 0 N--CA 1.49 1.561 0 C-N-CA 123.588 0.755 . . . . 72.34 111.786 170.887 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 110.696 -0.113 . . . . 61.03 110.696 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.14 -25.87 65.83 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.881 0.472 . . . . 71.14 111.654 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -58.24 -50.69 72.68 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.45 1.1 . . . . 63.44 110.876 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 93.0 mt-30 -69.02 -50.41 48.96 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 114.618 -1.174 . . . . 74.13 110.944 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HG ' ' HE1' ' A' ' 53' ' ' TRP . 4.8 tt -59.12 -38.79 80.46 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 125.648 1.579 . . . . 71.24 111.719 -173.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.33 -38.7 78.32 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.41 0.684 . . . . 72.43 112.363 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -66.81 -34.14 77.16 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.042 0.449 . . . . 74.53 111.679 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.578 HD22 HG23 ' A' ' 50' ' ' ILE . 74.7 mt -66.07 -36.75 84.05 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.747 -0.66 . . . . 74.43 110.819 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 97.1 mttt -62.07 -38.08 87.44 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.153 0.581 . . . . 63.12 112.078 175.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.8 -42.63 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 123.066 0.546 . . . . 64.44 110.945 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.3 t -67.98 -38.09 82.29 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 115.707 -0.679 . . . . 71.15 111.584 175.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -64.03 -38.76 92.26 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.511 0.724 . . . . 75.31 111.933 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 98.1 mt -62.18 -27.36 68.91 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.48 0.712 . . . . 71.34 111.575 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -80.09 -50.57 10.15 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-O 121.349 0.595 . . . . 74.24 110.05 172.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.46 135.74 3.06 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 114.733 -1.122 . . . . 43.44 111.639 -170.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.404 ' NE2' ' HB2' ' A' ' 58' ' ' ARG . 64.2 tt0 -73.24 -31.88 64.39 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.884 0.85 . . . . 70.32 110.191 172.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -117.07 87.47 23.08 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.197 0.999 . . . . 71.41 108.804 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.59 178.09 5.45 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.859 2.373 . . . . 74.4 113.278 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -62.68 -79.35 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.793 0.837 . . . . 65.2 111.196 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -179.73 -52.15 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.579 1.152 . . . . 74.42 108.155 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.1 p -58.74 -40.72 84.62 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.701 1.201 . . . . 51.12 112.806 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.26 -41.0 83.32 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.4 0.68 . . . . 71.12 111.156 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.444 HG21 ' HG3' ' A' ' 47' ' ' LYS . 33.8 mt -70.85 -37.94 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 123.399 0.68 . . . . 75.12 111.099 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.5 mt -62.5 -41.52 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 C-N-CA 123.424 0.69 . . . . 71.52 110.967 175.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -58.39 -46.73 85.82 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.001 0.92 . . . . 70.44 110.761 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.4 -37.99 82.58 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.501 0.72 . . . . 71.24 111.744 175.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 49.4 mtm -59.83 -42.11 92.83 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-O 121.07 0.462 . . . . 70.43 111.515 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.03 -36.84 67.02 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 115.42 -0.809 . . . . 72.33 112.23 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.6 mm -74.2 -57.1 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 123.122 0.569 . . . . 64.0 111.41 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.0 p -76.91 -43.66 34.7 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.576 0.75 . . . . 71.45 112.422 -173.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.11 -2.9 37.94 Favored Glycine 0 N--CA 1.481 1.695 0 CA-C-N 116.446 -0.343 . . . . 73.12 113.163 -174.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 mt -80.9 162.29 24.0 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.943 0.897 . . . . 42.45 111.395 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.6 p -88.95 160.74 17.0 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 122.65 0.38 . . . . 74.24 110.549 173.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HG3' HG21 ' A' ' 36' ' ' ILE . 38.0 ttmt -55.99 -39.7 72.23 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.763 0.825 . . . . 73.51 111.461 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.61 -43.4 98.99 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 115.836 -0.62 . . . . 65.24 113.664 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.45 -39.28 91.86 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.694 0.798 . . . . 72.45 112.567 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.578 HG23 HD22 ' A' ' 21' ' ' LEU . 92.7 mt -67.85 -47.91 77.51 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.07 0 C-N-CA 123.708 0.803 . . . . 74.13 111.192 -178.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.525 ' HA ' ' HD2' ' A' ' 54' ' ' PHE . 7.3 mtpm? -70.27 -29.04 65.71 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.108 0.563 . . . . 73.24 111.699 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -63.89 -43.49 95.84 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.774 0.83 . . . . 62.35 110.665 171.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.406 ' HE1' ' HG ' ' A' ' 18' ' ' LEU . 89.5 t90 -61.36 -43.79 98.28 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 114.795 -1.093 . . . . 71.24 111.643 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.525 ' HD2' ' HA ' ' A' ' 51' ' ' LYS . 39.0 m-85 -55.34 -34.73 64.49 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 123.509 0.724 . . . . 62.45 112.781 -178.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.3 m -61.88 -48.34 80.94 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.688 0.795 . . . . 63.1 111.806 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -71.34 -29.21 64.72 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.316 0.646 . . . . 75.42 112.007 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.3 m -67.73 -31.71 71.82 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 113.1 0.778 . . . . 73.11 113.1 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.404 ' HB2' ' NE2' ' A' ' 29' ' ' GLN . 19.0 ttt180 . . . . . 0 CA--C 1.551 0.991 0 CA-C-N 118.649 0.658 . . . . 74.13 111.214 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 111.74 0.274 . . . . 74.13 111.74 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -51.17 -47.58 62.12 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.516 1.126 . . . . 50.43 112.241 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -66.32 -45.97 78.46 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.225 0.61 . . . . 63.0 112.355 -174.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -60.33 -50.38 73.84 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.432 0.693 . . . . 53.42 112.094 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.76 -38.54 89.36 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.357 0.663 . . . . 61.4 110.451 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.87 89.72 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.485 0.714 . . . . 44.22 112.35 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -64.83 -33.19 75.4 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 111.91 0.337 . . . . 63.0 111.91 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.82 -38.74 80.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.052 0.541 . . . . 75.42 111.22 173.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -62.77 -45.08 94.34 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.291 0.636 . . . . 75.24 111.227 175.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.05 -41.93 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 123.424 0.69 . . . . 74.02 110.654 174.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -66.59 -27.97 68.14 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 116.042 -0.526 . . . . 71.15 112.108 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -72.96 -34.98 66.85 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.475 0.71 . . . . 74.44 110.776 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.56 -39.9 84.94 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.248 0.619 . . . . 62.21 110.77 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -65.71 -56.79 10.19 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.204 1.002 . . . . 70.4 111.614 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -153.01 125.37 8.12 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.211 1.005 . . . . 74.43 109.898 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -74.43 -20.41 60.05 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.62 0.768 . . . . 74.44 111.664 -172.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -136.18 81.58 37.82 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.629 0.771 . . . . 62.42 109.795 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.99 133.27 30.55 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.675 2.25 . . . . 74.24 111.787 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -68.73 -70.95 0.24 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.53 0.732 . . . . 64.23 111.606 -172.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.457 ' O ' HG12 ' A' ' 37' ' ' ILE . 1.1 p30 -159.32 -43.23 0.05 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.637 0.775 . . . . 73.12 111.522 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.4 t -58.52 -43.43 89.14 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 123.598 0.759 . . . . 72.25 112.571 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.24 -38.18 89.56 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 121.224 0.535 . . . . 75.13 110.551 175.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.526 HG21 ' HD2' ' A' ' 47' ' ' LYS . 54.2 mt -68.91 -31.43 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 C-N-CA 123.55 0.74 . . . . 74.42 111.402 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 33' ' ' ASP . 46.7 mm -57.81 -46.2 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 123.239 0.616 . . . . 74.45 110.161 175.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -56.99 -58.55 7.66 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.239 -0.891 . . . . 72.21 110.686 170.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.2 mt -55.53 -36.72 67.06 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.933 0.893 . . . . 71.13 113.071 -174.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 74.5 mtm -69.01 -40.68 78.54 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.873 0.469 . . . . 73.32 111.888 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -79.94 -25.93 40.26 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.771 0.428 . . . . 71.22 111.92 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.6 mm -81.74 -56.31 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 C-N-CA 123.534 0.733 . . . . 61.53 111.257 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.8 p -83.14 -38.79 21.92 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.806 0.443 . . . . 74.24 112.079 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.34 -22.68 28.52 Favored Glycine 0 N--CA 1.477 1.37 0 CA-C-N 116.127 -0.488 . . . . 41.13 112.572 -172.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.31 136.56 49.89 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.011 0.924 . . . . 74.03 111.581 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.6 p -82.94 177.54 8.58 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.941 1.089 . . . . 75.02 113.941 -170.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.526 ' HD2' HG21 ' A' ' 36' ' ' ILE . 24.4 tptm -54.86 -55.85 25.92 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.655 1.182 . . . . 74.2 112.604 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.13 -33.33 84.99 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-N 116.103 -0.498 . . . . 45.11 113.687 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -61.16 -47.61 85.38 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 124.133 0.973 . . . . 72.35 111.552 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.7 mt -68.83 -49.19 66.06 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 124.175 0.99 . . . . 70.13 111.273 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -55.9 -34.05 65.2 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.519 0.728 . . . . 64.23 112.476 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -65.03 -50.17 67.31 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.756 0.822 . . . . 75.41 110.25 174.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -57.42 -48.3 79.48 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.863 0.865 . . . . 75.31 112.632 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -61.81 -29.2 70.0 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.469 0.708 . . . . 75.34 112.779 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.4 m -66.48 -48.09 71.0 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 122.818 0.447 . . . . 63.52 111.279 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -71.97 -29.1 63.9 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.414 0.686 . . . . 73.41 112.046 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.0 m -73.61 -37.66 65.34 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.2 0.6 . . . . 64.33 111.036 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 . . . . . 0 N--CA 1.481 1.084 0 C-N-CA 122.81 0.444 . . . . 73.24 110.779 170.412 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 111.88 0.326 . . . . 55.1 111.88 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -56.39 -61.07 2.66 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 124.13 0.972 . . . . 74.25 113.031 -169.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -26.53 46.65 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 112.24 0.459 . . . . 71.32 112.24 -175.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -66.66 -47.35 72.79 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.392 0.677 . . . . 72.12 111.125 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.53 HD22 ' HE3' ' A' ' 22' ' ' LYS . 3.0 tt -63.12 -38.03 89.57 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.434 1.094 . . . . 65.11 109.917 175.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.78 88.63 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.586 0.754 . . . . 71.32 112.451 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -69.49 -32.74 71.79 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.689 0.396 . . . . 72.34 112.04 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.99 -32.69 74.09 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.8 0.44 . . . . 73.43 110.976 173.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.53 ' HE3' HD22 ' A' ' 18' ' ' LEU . 99.0 mttt -64.22 -51.08 65.42 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.178 0.591 . . . . 71.01 110.998 174.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.9 t -59.24 -37.56 69.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 123.496 0.718 . . . . 73.5 110.821 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.9 t -69.26 -38.56 78.49 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.663 -0.699 . . . . 64.13 111.364 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CD1' ' HB3' ' A' ' 29' ' ' GLN . 89.3 t80 -61.89 -44.37 96.93 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.003 0.921 . . . . 64.5 111.406 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.27 -46.76 85.45 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.024 0.929 . . . . 61.33 112.486 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -79.95 -36.89 35.54 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.385 0.513 . . . . 73.33 112.385 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -164.85 100.44 0.78 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.971 0.509 . . . . 70.13 111.805 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 25' ' ' TYR . 5.8 pt20 -80.9 -3.14 50.36 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.707 0.632 . . . . 75.12 112.707 175.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -128.09 76.55 77.68 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 123.299 0.64 . . . . 73.24 110.989 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.65 149.64 21.1 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 122.562 2.175 . . . . 62.11 112.464 172.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -79.99 -71.32 0.46 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.278 0.631 . . . . 74.51 111.559 -173.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -155.4 -54.95 0.09 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.946 0.498 . . . . 75.21 109.917 -177.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.8 m -59.28 -46.12 89.39 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.886 0.874 . . . . 65.34 112.594 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.45 -30.76 71.79 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.665 0.786 . . . . 72.4 111.398 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.56 HG21 ' HG3' ' A' ' 47' ' ' LYS . 17.9 mt -72.64 -43.39 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.802 178.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.9 mt -65.39 -33.96 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 123.113 0.565 . . . . 74.11 110.879 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' O ' HG12 ' A' ' 42' ' ' ILE . 21.5 tpt180 -52.55 -55.63 20.84 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.436 0.694 . . . . 73.14 109.923 167.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -56.43 -43.1 79.09 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.757 0.823 . . . . 62.11 112.145 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mtp -60.86 -38.1 84.42 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.629 0.772 . . . . 71.33 112.138 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -86.19 -19.33 30.21 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 112.585 0.587 . . . . 74.22 112.585 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 38' ' ' ARG . 37.8 mm -78.4 -45.41 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 CA-C-O 121.544 0.688 . . . . 60.55 110.484 171.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.4 p -94.45 -55.26 3.22 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.038 0.935 . . . . 72.22 111.936 -170.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.65 22.87 6.17 Favored Glycine 0 N--CA 1.481 1.66 0 C-N-CA 123.091 0.377 . . . . 74.42 112.513 -172.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.8 mt -99.08 175.98 5.72 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.163 0.985 . . . . 62.31 111.886 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.6 p -102.1 155.55 18.12 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 116.031 -0.531 . . . . 73.12 110.771 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HG3' HG21 ' A' ' 36' ' ' ILE . 35.3 ttpt -58.92 -32.33 69.46 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.87 0.868 . . . . 75.32 112.701 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.51 -52.84 35.96 Favored Glycine 0 CA--C 1.54 1.628 0 CA-C-N 116.134 -0.484 . . . . 61.41 113.566 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.02 -33.78 75.0 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 123.622 0.769 . . . . 64.44 112.492 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.46 -46.02 84.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.178 0 C-N-CA 123.286 0.634 . . . . 72.22 111.357 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.75 -40.92 98.77 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 120.795 0.331 . . . . 74.43 111.753 175.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.5 -33.22 75.42 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.314 0.646 . . . . 75.31 111.595 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -64.28 -48.06 77.14 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.476 0.485 . . . . 74.5 110.334 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -60.53 -40.02 89.95 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.946 0.499 . . . . 70.23 111.56 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 t -64.35 -40.98 96.94 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.389 0.676 . . . . 74.45 111.791 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.21 -48.96 66.3 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.35 0.66 . . . . 52.42 111.013 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.5 m -59.14 -41.5 88.45 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.749 0.82 . . . . 41.34 111.104 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 . . . . . 0 N--CA 1.485 1.295 0 C-N-CA 123.626 0.77 . . . . 72.04 111.863 173.111 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.8 p . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.766 -0.457 . . . . 72.23 109.766 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -64.45 -36.28 83.65 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.655 0.613 . . . . 74.01 112.655 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.99 -35.84 64.47 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 112.551 0.574 . . . . 62.24 112.551 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -65.65 -47.35 75.86 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-O 121.197 0.522 . . . . 61.22 110.477 171.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.75 ' HG ' ' HE1' ' A' ' 53' ' ' TRP . 5.1 tt -56.83 -38.68 72.97 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.531 1.532 . . . . 73.45 110.881 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.27 -45.5 93.1 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.285 1.034 . . . . 65.22 112.697 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -67.17 -35.67 80.16 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.37 0.668 . . . . 74.53 112.036 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.532 HD22 HG23 ' A' ' 50' ' ' ILE . 56.8 mt -69.38 -34.96 75.32 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.402 -0.817 . . . . 70.45 111.245 176.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -58.85 -41.67 87.51 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.683 0.793 . . . . 62.01 111.4 174.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.3 t -55.65 -38.64 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 123.623 0.769 . . . . 65.1 111.599 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 t -72.46 -46.45 54.87 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.103 0.561 . . . . 41.15 111.629 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -59.78 -39.69 85.75 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.183 0.993 . . . . 74.33 112.395 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.42 -31.96 73.39 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.613 0.765 . . . . 73.12 112.013 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -75.41 -47.77 25.88 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.031 0.533 . . . . 71.2 110.245 171.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -171.83 142.12 1.48 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.759 0.823 . . . . 71.52 110.807 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.546 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 62.6 tt0 -65.94 -25.99 67.38 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.366 0.667 . . . . 64.45 111.704 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -117.19 80.36 11.96 Favored Pre-proline 0 CA--C 1.563 1.478 0 C-N-CA 123.685 0.794 . . . . 64.33 110.215 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -82.33 -175.65 2.6 Favored 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 122.759 2.306 . . . . 72.31 113.813 -172.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -60.81 154.25 22.4 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.082 0.553 . . . . 63.11 112.33 172.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.46 -48.41 81.24 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.585 0.754 . . . . 74.54 110.289 174.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.4 m -63.17 -28.85 70.33 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.109 -0.951 . . . . 65.34 112.501 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.16 -47.87 75.51 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.275 0.63 . . . . 72.12 111.193 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.488 HD13 ' HD3' ' A' ' 51' ' ' LYS . 25.0 mt -60.5 -40.42 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 123.317 0.647 . . . . 62.21 110.674 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.413 HG22 ' HE2' ' A' ' 41' ' ' LYS . 75.5 mt -64.45 -40.07 87.77 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 C-N-CA 123.665 0.786 . . . . 62.12 111.559 175.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -61.79 -42.03 98.48 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.537 0.735 . . . . 63.54 109.885 176.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.62 -34.6 78.6 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.539 0.736 . . . . 74.5 111.561 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.3 mtm -61.26 -38.34 86.35 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 120.998 0.428 . . . . 75.35 111.315 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HE2' HG22 ' A' ' 37' ' ' ILE . 67.0 mttm -72.1 -32.92 67.44 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.724 0.81 . . . . 74.44 112.479 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.0 mm -82.86 -60.56 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 123.101 0.56 . . . . 71.41 111.304 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.2 p -70.83 -43.07 69.3 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.825 0.85 . . . . 73.24 112.432 -173.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.99 20.99 31.7 Favored Glycine 0 CA--C 1.536 1.402 0 CA-C-N 116.298 -0.41 . . . . 61.32 112.997 -171.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -101.4 163.47 12.25 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.16 0.984 . . . . 73.43 110.5 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -88.25 161.99 16.88 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.743 0.417 . . . . 50.02 111.408 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.6 -50.82 71.87 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.589 1.155 . . . . 65.32 112.619 -172.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.65 -32.38 81.26 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 115.611 -0.722 . . . . 52.33 113.846 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -64.99 -39.77 93.96 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.799 0.84 . . . . 70.3 111.056 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.532 HG23 HD22 ' A' ' 21' ' ' LEU . 94.1 mt -67.3 -42.44 87.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.094 0 CA-C-N 114.839 -1.073 . . . . 71.23 110.952 174.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HD3' HD13 ' A' ' 36' ' ' ILE . 4.5 mmmp? -61.34 -39.89 92.23 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.49 0.716 . . . . 44.5 112.361 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -65.37 -38.98 91.7 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.846 0.458 . . . . 75.12 111.099 175.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.75 ' HE1' ' HG ' ' A' ' 18' ' ' LEU . 91.3 t90 -54.21 -46.18 72.43 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.918 0.887 . . . . 73.45 112.333 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.546 ' HB3' ' HG3' ' A' ' 29' ' ' GLN . 69.5 m-85 -55.73 -35.12 65.8 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.4 0.68 . . . . 65.03 112.119 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.4 t -70.53 -48.82 53.64 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.683 0.793 . . . . 60.14 111.945 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -65.45 -37.62 87.42 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.109 0.564 . . . . 74.45 111.803 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.1 m -65.82 -36.0 82.27 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.352 1.061 . . . . 75.25 112.632 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 . . . . . 0 CA--C 1.561 1.381 0 CA-C-O 121.185 0.517 . . . . 73.31 111.309 179.01 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.75 -0.463 . . . . 53.44 109.75 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -64.89 -34.28 78.03 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.149 0.58 . . . . 50.31 111.422 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.31 -49.09 77.01 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.468 1.107 . . . . 74.13 111.119 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.433 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 97.1 mt-30 -66.15 -48.39 70.93 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.253 -0.885 . . . . 75.53 111.829 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.21 -36.86 78.63 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.991 1.316 . . . . 74.23 110.941 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.78 95.31 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.607 0.763 . . . . 63.33 112.277 177.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -67.05 -36.44 82.07 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.338 0.655 . . . . 54.5 111.776 176.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 17' ' ' GLN . 85.3 mt -64.54 -37.79 88.78 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 115.843 -0.617 . . . . 74.0 110.79 175.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.487 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 88.2 mttt -64.33 -37.52 87.8 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.947 -0.57 . . . . 74.01 112.022 174.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.8 t -58.98 -44.33 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 CA-C-N 118.177 0.444 . . . . 54.23 110.993 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 t -61.75 -41.51 97.76 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 115.849 -0.614 . . . . 73.54 111.508 174.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -64.3 -34.17 77.51 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 124.121 0.968 . . . . 70.32 111.728 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 95.3 mt -71.11 -31.22 67.51 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.257 1.023 . . . . 64.03 111.704 177.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -69.96 -55.9 8.42 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.438 0.637 . . . . 61.41 110.021 172.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -163.89 138.7 5.97 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.487 1.115 . . . . 70.42 109.157 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -76.72 -6.92 54.18 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 112.715 0.635 . . . . 63.52 112.715 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -126.94 78.68 73.69 Favored Pre-proline 0 CA--C 1.563 1.461 0 C-N-CA 123.868 0.867 . . . . 64.31 110.458 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -76.47 156.27 36.51 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.567 2.178 . . . . 73.43 113.063 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -79.32 153.69 29.63 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.455 0.702 . . . . 72.51 110.603 176.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.97 -29.44 60.22 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 112.846 0.684 . . . . 74.33 112.846 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 p -62.97 -47.91 81.14 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.578 0.751 . . . . 44.11 111.355 173.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.98 -33.58 76.37 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.657 0.783 . . . . 72.43 111.213 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.404 ' O ' ' HG3' ' A' ' 40' ' ' MET . 92.2 mt -67.08 -43.58 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 123.298 0.639 . . . . 71.52 111.003 176.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.6 mt -62.33 -36.88 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 C-N-CA 123.2 0.6 . . . . 64.21 111.33 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -53.98 -55.2 29.34 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.159 0.584 . . . . 73.12 109.95 171.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.98 -36.98 80.85 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.044 0.937 . . . . 74.45 112.099 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 84.4 mtp -58.54 -41.7 86.15 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.037 0.935 . . . . 73.21 111.699 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -78.25 -32.37 49.61 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.084 0.553 . . . . 71.44 112.026 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.8 mm -72.89 -38.89 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 C-N-CA 123.068 0.547 . . . . 75.13 111.487 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.433 ' HB ' ' HG2' ' A' ' 17' ' ' GLN . 72.3 p -96.26 -53.24 3.69 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.706 0.802 . . . . 55.31 111.536 -173.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.27 -4.97 17.83 Favored Glycine 0 N--CA 1.481 1.684 0 CA-C-N 116.207 -0.451 . . . . 72.25 112.604 -171.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.77 164.2 23.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.507 1.123 . . . . 70.34 112.317 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.7 p -95.62 174.44 6.99 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.509 0.723 . . . . 74.41 110.634 173.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -60.16 -35.2 74.81 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.441 0.296 . . . . 70.34 111.384 170.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.72 -50.54 66.41 Favored Glycine 0 C--N 1.351 1.372 0 O-C-N 123.416 0.447 . . . . 54.12 112.635 175.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -55.33 -44.38 75.81 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.917 0.887 . . . . 75.51 112.483 177.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.45 -45.09 47.01 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.292 0 C-N-CA 123.45 0.7 . . . . 72.01 111.799 -175.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -60.31 -44.32 95.55 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 123.651 0.781 . . . . 61.22 112.018 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -67.58 -32.94 74.04 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.012 0.525 . . . . 73.41 111.361 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -63.83 -50.56 68.43 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 122.908 0.13 . . . . 72.02 110.671 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -63.27 -31.99 73.28 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.308 0.643 . . . . 73.42 111.498 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.7 t -59.72 -51.01 71.61 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.367 0.667 . . . . 55.42 111.392 175.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -75.06 -30.37 60.97 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 112.762 0.652 . . . . 72.42 112.762 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.6 m -72.37 -44.4 62.61 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.137 0.575 . . . . 75.42 111.705 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 120.546 0.212 . . . . 72.13 111.122 175.515 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 119.878 -0.106 . . . . 73.34 111.17 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -52.15 -42.37 63.32 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 113.379 0.881 . . . . 71.22 113.379 -175.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.17 -33.05 56.56 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.422 0.689 . . . . 74.03 112.534 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -68.48 -49.11 62.19 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.494 0.664 . . . . 51.14 110.388 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.67 -30.76 71.62 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 124.656 1.183 . . . . 71.03 111.17 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.91 91.83 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.585 0.754 . . . . 73.44 112.209 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.464 ' HB2' HG22 ' A' ' 43' ' ' THR . 73.2 mm-40 -61.71 -36.64 81.52 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.038 0.535 . . . . 55.23 111.576 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.57 HD22 HG23 ' A' ' 50' ' ' ILE . 56.5 mt -68.16 -37.15 80.7 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 115.734 -0.666 . . . . 52.51 111.205 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 14.2 mmtm -65.89 -44.9 83.93 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.66 0.784 . . . . 74.43 111.241 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.31 -40.64 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 C-N-CA 123.309 0.644 . . . . 73.25 110.614 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 t -63.16 -38.49 91.39 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.415 0.686 . . . . 63.42 111.527 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -68.24 -39.72 82.22 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.016 0.926 . . . . 74.43 111.772 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 96.0 mt -63.81 -32.25 73.7 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.908 0.883 . . . . 53.34 111.776 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -81.54 -53.87 5.9 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.323 0.649 . . . . 75.33 111.279 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.67 124.14 16.88 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.784 0.834 . . . . 63.23 111.786 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -82.36 -11.27 58.69 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.025 0.53 . . . . 71.15 111.401 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -124.59 71.21 57.95 Favored Pre-proline 0 CA--C 1.569 1.689 0 C-N-CA 124.362 1.065 . . . . 65.52 110.422 175.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HB3' ' HG2' ' A' ' 35' ' ' GLU . 15.2 Cg_exo -73.15 142.28 33.9 Favored 'Trans proline' 0 C--N 1.384 2.434 0 C-N-CA 122.84 2.36 . . . . 72.44 112.819 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.401 ' O ' HG12 ' A' ' 36' ' ' ILE . 32.5 m80 -72.38 165.65 24.11 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.74 0.816 . . . . 73.52 111.979 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.26 -36.42 77.76 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.25 0.62 . . . . 71.13 112.088 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.7 m -63.61 -38.82 92.58 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.785 0.834 . . . . 61.35 111.961 176.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.466 ' HG2' ' HB3' ' A' ' 31' ' ' PRO . 10.1 tp10 -60.74 -40.07 91.05 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.629 0.772 . . . . 73.33 111.055 174.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 50' ' ' ILE . 27.9 mm -67.53 -36.85 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 122.825 0.45 . . . . 72.13 111.546 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -55.51 -47.16 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 CA-C-O 121.511 0.672 . . . . 74.15 110.416 174.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -60.36 -49.0 79.34 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.624 -1.171 . . . . 72.01 111.333 174.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.68 -32.78 72.98 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.499 0.719 . . . . 72.03 112.585 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 69.5 mtm -66.04 -35.33 80.26 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 118.248 0.476 . . . . 70.41 111.33 177.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.69 -32.79 66.04 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.554 0.742 . . . . 75.05 112.267 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.4 mm -84.04 -46.64 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.412 0 CA-C-O 120.96 0.409 . . . . 73.44 111.165 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.464 HG22 ' HB2' ' A' ' 20' ' ' GLU . 51.4 p -79.38 -54.91 5.47 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.43 0.692 . . . . 74.15 111.529 -176.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.43 -4.52 29.68 Favored Glycine 0 N--CA 1.48 1.587 0 CA-C-N 116.215 -0.448 . . . . 65.32 112.72 -171.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.2 mt -83.34 175.02 10.18 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.41 1.084 . . . . 73.32 111.487 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.6 p -98.55 167.04 11.06 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.701 0.63 . . . . 63.22 112.701 -174.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' N ' ' SD ' ' A' ' 40' ' ' MET . 23.9 tptm -54.52 -44.69 72.99 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.428 1.091 . . . . 74.41 111.372 175.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.96 -52.39 42.35 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.188 -0.915 . . . . 71.23 113.201 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.09 -46.82 75.53 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 124.141 0.976 . . . . 74.33 113.135 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.57 HG23 HD22 ' A' ' 21' ' ' LEU . 75.5 mt -70.37 -50.8 43.39 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.284 0 C-N-CA 122.79 0.436 . . . . 73.24 112.0 -174.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HE2' HG13 ' A' ' 36' ' ' ILE . 54.7 mmtt -56.28 -38.31 71.02 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 123.153 0.581 . . . . 73.15 111.788 173.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -65.13 -40.4 94.4 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.225 1.01 . . . . 73.01 110.89 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 92.2 t90 -61.48 -45.31 94.79 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.952 0.901 . . . . 63.12 112.044 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -61.02 -31.23 70.86 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.541 0.336 . . . . 71.14 111.372 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 m -67.48 -44.61 78.11 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.996 0.519 . . . . 71.04 110.86 172.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -63.8 -37.34 87.01 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.489 0.716 . . . . 65.44 111.905 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 60.2 m -77.35 -36.49 53.67 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.392 0.677 . . . . 64.33 111.432 -176.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 . . . . . 0 N--CA 1.493 1.699 0 C-N-CA 123.211 0.604 . . . . 74.22 111.854 173.224 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 109.029 -0.73 . . . . 74.21 109.029 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -58.95 -29.82 67.42 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.417 0.525 . . . . 64.43 112.417 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.78 -49.48 68.18 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.264 0.626 . . . . 74.55 111.547 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.32 -50.04 74.55 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.33 0.652 . . . . 64.04 111.072 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.82 -35.91 81.46 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.962 1.305 . . . . 75.14 111.041 -176.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.454 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -65.39 -45.06 85.51 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.399 0.68 . . . . 72.44 111.785 178.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -62.78 -37.11 85.38 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.802 0.441 . . . . 62.01 111.742 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.483 HD22 HG23 ' A' ' 50' ' ' ILE . 84.3 mt -64.49 -40.02 94.89 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 116.043 -0.526 . . . . 71.54 110.834 174.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -62.17 -41.33 98.21 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.411 0.685 . . . . 63.04 111.808 174.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 19' ' ' ALA . 77.3 t -56.72 -40.88 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 C-N-CA 123.462 0.705 . . . . 73.23 111.627 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.8 t -74.68 -38.7 62.33 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.087 0.555 . . . . 65.42 111.434 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -63.07 -43.72 97.8 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.018 0.927 . . . . 71.12 112.478 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.04 -25.25 66.96 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.699 0.8 . . . . 64.43 112.363 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -87.38 -38.36 16.25 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.95 0.5 . . . . 73.1 111.078 174.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' A' ' 31' ' ' PRO . 60.8 t30 -155.99 110.45 2.85 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.615 0.766 . . . . 72.41 109.628 -175.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -71.24 -32.71 69.1 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.778 0.831 . . . . 55.33 111.562 -169.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -120.38 87.01 39.86 Favored Pre-proline 0 CA--C 1.553 1.071 0 N-CA-C 108.253 -1.017 . . . . 74.21 108.253 172.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.468 ' HA ' ' ND2' ' A' ' 28' ' ' ASN . 41.4 Cg_endo -87.23 175.4 4.81 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.808 2.339 . . . . 74.35 114.242 -174.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -77.66 161.46 27.77 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 115.171 -0.922 . . . . 74.11 111.909 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.06 -29.85 69.98 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.013 0.525 . . . . 72.25 110.965 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.3 p -61.3 -45.23 95.32 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.155 0.982 . . . . 74.23 111.704 174.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -57.7 -48.48 79.45 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 121.351 0.596 . . . . 55.53 110.405 173.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.55 HD13 ' HG2' ' A' ' 51' ' ' LYS . 88.6 mt -65.18 -30.4 50.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 CA-C-N 114.429 -1.26 . . . . 73.2 111.932 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.413 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 78.7 mt -67.5 -48.68 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 122.703 0.401 . . . . 74.33 110.38 171.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -53.28 -41.63 65.76 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.558 0.743 . . . . 71.35 110.927 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 36' ' ' ILE . 36.7 mt -66.51 -41.26 89.1 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.24 -0.891 . . . . 74.0 110.974 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.516 ' SD ' ' HB2' ' A' ' 47' ' ' LYS . 84.0 mtp -60.17 -35.69 75.91 Favored 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 123.128 0.571 . . . . 74.43 111.699 173.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 37' ' ' ILE . 29.7 mmmt -67.03 -46.75 73.49 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.668 0.787 . . . . 74.32 111.953 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.4 mm -84.2 -48.19 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.09 0.556 . . . . 74.13 112.033 -173.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.5 p -73.62 -35.99 65.41 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.106 0.562 . . . . 74.52 111.894 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.6 18.25 71.23 Favored Glycine 0 CA--C 1.538 1.476 0 CA-C-N 116.384 -0.371 . . . . 70.51 113.243 -173.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.6 mt -89.22 170.6 10.46 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.032 0.933 . . . . 75.51 111.536 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 p -89.79 152.73 21.15 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.534 -0.757 . . . . 64.12 109.993 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.516 ' HB2' ' SD ' ' A' ' 40' ' ' MET . 36.7 ttmt -58.36 -33.57 69.7 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 123.763 0.825 . . . . 70.32 112.486 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.19 -45.54 93.38 Favored Glycine 0 CA--C 1.535 1.317 0 CA-C-N 116.261 -0.427 . . . . 64.42 114.044 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.0 -46.39 90.98 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.497 0.719 . . . . 63.35 111.233 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.483 HG23 HD22 ' A' ' 21' ' ' LEU . 64.1 mt -65.73 -45.04 92.98 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 CA-C-N 115.124 -0.944 . . . . 75.25 112.623 -176.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.55 ' HG2' HD13 ' A' ' 36' ' ' ILE . 93.6 mttt -65.64 -42.14 91.78 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.61 0.596 . . . . 71.34 112.61 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -65.8 -36.22 82.9 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.231 0.212 . . . . 71.31 111.065 175.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -54.53 -47.07 73.59 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.585 0.754 . . . . 71.43 111.674 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -60.49 -40.79 92.6 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 112.525 0.565 . . . . 72.25 112.525 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 99.8 p -72.0 -42.38 66.49 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 112.308 0.484 . . . . 44.21 112.308 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -68.71 -35.81 77.64 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.192 0.597 . . . . 72.42 111.766 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.9 m -66.49 -43.03 86.51 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.669 0.787 . . . . 74.12 110.334 172.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? . . . . . 0 CA--C 1.549 0.918 0 C-N-CA 123.59 0.756 . . . . 74.42 111.297 177.081 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.2 p . . . . . 0 N--CA 1.485 1.296 0 N-CA-C 109.359 -0.608 . . . . 54.4 109.359 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -65.77 -22.65 66.6 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 112.307 0.484 . . . . 63.24 112.307 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -71.34 -46.27 60.95 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.338 0.655 . . . . 71.02 110.534 171.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.9 -50.64 67.95 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.283 0.633 . . . . 73.05 111.038 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.7 mt -52.97 -47.49 68.11 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.357 1.063 . . . . 71.2 112.244 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.5 -50.52 69.71 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.39 0.676 . . . . 75.43 112.323 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.69 -32.82 68.25 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.466 0.706 . . . . 74.05 112.502 -175.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.53 -34.42 70.02 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.892 0.477 . . . . 72.33 111.462 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.15 -40.14 90.34 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.003 0.521 . . . . 74.53 111.253 175.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.57 -45.26 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.293 0.637 . . . . 73.03 110.837 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.4 t -68.65 -28.33 66.79 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 115.806 -0.633 . . . . 72.22 112.139 176.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -69.48 -37.2 77.16 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.6 0.76 . . . . 70.25 111.004 176.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -69.79 -31.07 68.78 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.531 0.732 . . . . 61.33 111.618 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -79.84 -39.93 29.57 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.337 0.655 . . . . 75.34 111.247 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -160.34 103.43 1.42 Allowed 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.577 1.151 . . . . 71.01 110.923 -172.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -66.49 -28.98 69.0 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.563 0.696 . . . . 75.14 110.764 174.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -114.49 92.39 28.2 Favored Pre-proline 0 CA--C 1.557 1.225 0 C-N-CA 124.806 1.242 . . . . 63.4 108.14 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -77.57 149.49 27.08 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.031 2.487 . . . . 71.34 112.833 -174.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -89.67 -91.52 0.13 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.294 0.638 . . . . 72.0 111.388 -171.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -147.32 -57.22 0.25 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.027 0.931 . . . . 72.24 110.161 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.3 m -58.97 -42.27 89.53 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 124.067 0.947 . . . . 60.43 112.707 -173.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -58.77 -43.83 90.47 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.414 0.686 . . . . 73.24 110.982 173.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.455 HG21 ' HG3' ' A' ' 47' ' ' LYS . 10.5 mt -69.61 -33.3 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 115.316 -0.856 . . . . 61.54 110.989 -175.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.68 -42.64 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.424 0.69 . . . . 71.44 110.758 173.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -64.97 -39.98 94.3 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 116.119 -0.491 . . . . 70.13 110.726 175.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 36' ' ' ILE . 92.1 mt -61.78 -37.57 84.83 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.287 0.635 . . . . 73.21 111.59 173.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 58.5 mtm -64.48 -34.34 77.98 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.897 0.479 . . . . 62.25 111.273 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -70.03 -42.24 73.21 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.471 0.708 . . . . 74.11 111.773 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.8 mm -81.87 -62.11 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 122.873 0.469 . . . . 75.34 111.718 -175.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.2 p -69.31 -38.5 78.28 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.524 0.73 . . . . 64.24 111.96 -176.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.98 -4.58 59.08 Favored Glycine 0 N--CA 1.478 1.45 0 CA-C-N 116.368 -0.378 . . . . 72.43 113.747 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 mt -76.97 176.12 8.91 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.267 1.027 . . . . 74.14 111.688 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.6 p -104.97 156.12 18.33 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 123.442 0.697 . . . . 75.13 110.601 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HG3' HG21 ' A' ' 36' ' ' ILE . 36.9 ttpt -54.87 -46.4 74.73 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.949 1.092 . . . . 73.11 113.949 -171.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.48 -35.08 86.27 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 116.799 -0.182 . . . . 71.21 113.482 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -67.73 -41.32 83.64 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.958 0.903 . . . . 62.25 109.902 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.68 -46.14 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.569 1.147 . . . . 72.33 112.109 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -64.03 -29.55 70.69 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 112.274 0.472 . . . . 72.23 112.274 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.37 -33.89 75.62 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.411 0.284 . . . . 64.21 111.433 172.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -61.98 -47.4 84.98 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.542 0.337 . . . . 74.1 110.978 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -61.58 -32.01 72.08 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.165 0.586 . . . . 73.41 111.525 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -69.53 -44.16 71.54 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.12 0.568 . . . . 63.22 111.156 174.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -68.18 -35.34 77.87 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.272 0.629 . . . . 72.3 111.979 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.0 m -71.85 -40.55 68.93 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.116 0.566 . . . . 71.13 110.632 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 . . . . . 0 CA--C 1.553 1.07 0 C-N-CA 122.691 0.396 . . . . 70.21 111.929 174.642 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 111.312 0.116 . . . . 71.05 111.312 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -57.37 -44.8 84.72 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 112.901 0.704 . . . . 75.01 112.901 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -62.97 -38.0 89.37 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.284 0.634 . . . . 74.03 111.738 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -69.56 -45.89 67.68 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.48 -0.782 . . . . 72.43 111.369 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.33 -32.7 73.5 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.046 0.939 . . . . 73.23 111.978 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.471 ' HA ' ' HZ2' ' A' ' 22' ' ' LYS . . . -63.04 -48.41 78.84 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 123.173 0.589 . . . . 61.04 111.715 177.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.44 -38.23 89.26 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.257 0.623 . . . . 73.04 112.074 175.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.09 -41.24 99.35 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.198 0.599 . . . . 72.22 111.99 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.471 ' HZ2' ' HA ' ' A' ' 19' ' ' ALA . 10.0 mtmp? -67.73 -38.68 83.87 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.998 0.519 . . . . 70.43 111.958 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.8 t -58.23 -44.81 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-O 121.234 0.54 . . . . 52.24 110.587 171.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.9 t -67.61 -29.54 68.9 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.412 -0.813 . . . . 73.05 112.027 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -72.03 -39.82 68.87 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.393 0.677 . . . . 73.54 111.597 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 96.0 mt -62.82 -23.77 67.43 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.414 0.686 . . . . 52.45 112.35 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -93.78 -59.84 1.9 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.845 0.858 . . . . 71.42 110.823 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -126.34 111.12 14.14 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.949 1.299 . . . . 54.03 110.289 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -75.88 -19.03 59.17 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.043 0.537 . . . . 72.04 111.302 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -134.49 92.18 20.76 Favored Pre-proline 0 CA--C 1.569 1.686 0 C-N-CA 124.349 1.06 . . . . 62.3 109.871 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.35 150.93 37.36 Favored 'Trans proline' 0 C--N 1.381 2.262 0 C-N-CA 123.409 2.74 . . . . 75.21 113.219 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -87.02 -75.89 0.38 Allowed 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.619 0.768 . . . . 73.34 112.61 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -150.95 -58.37 0.17 Allowed 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.547 0.573 . . . . 73.42 112.547 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.4 m -61.88 -39.0 90.4 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.756 0.822 . . . . 60.23 111.992 -176.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -68.5 -35.02 76.92 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.454 0.701 . . . . 63.3 111.468 176.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.8 mt -64.13 -48.76 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 C-N-CA 122.931 0.492 . . . . 63.31 110.902 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.49 -35.01 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 123.351 0.661 . . . . 72.33 111.325 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -56.97 -52.76 63.94 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 115.807 -0.633 . . . . 63.04 110.493 172.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.14 -40.88 97.44 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.184 0.594 . . . . 53.04 111.631 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.519 ' HG3' HD12 ' A' ' 50' ' ' ILE . 49.1 mtp -54.47 -45.23 73.13 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 123.884 0.874 . . . . 54.12 112.614 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -90.06 -13.87 35.02 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 113.186 0.81 . . . . 63.23 113.186 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.8 mm -86.87 -56.68 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 C-N-CA 122.684 0.394 . . . . 73.51 110.253 171.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.5 p -66.17 -49.72 66.42 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.587 0.755 . . . . 64.23 111.533 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.12 24.64 5.91 Favored Glycine 0 N--CA 1.479 1.536 0 CA-C-N 116.338 -0.392 . . . . 72.52 112.825 -173.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.5 mt -101.51 171.95 7.26 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 113.614 0.968 . . . . 54.0 113.614 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.6 p -97.51 170.99 8.66 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 114.531 -1.213 . . . . 54.54 110.157 170.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -60.82 -54.51 44.24 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.411 0.685 . . . . 70.13 111.67 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.03 -33.44 64.13 Favored Glycine 0 CA--C 1.538 1.504 0 N-CA-C 114.505 0.562 . . . . 52.32 114.505 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.13 -51.68 66.92 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.388 0.675 . . . . 71.22 111.694 175.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.519 HD12 ' HG3' ' A' ' 40' ' ' MET . 67.3 mt -67.72 -48.57 75.51 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 C-N-CA 123.529 0.732 . . . . 73.32 111.737 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -51.42 -52.34 46.98 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.479 1.111 . . . . 75.45 112.209 177.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -71.93 -31.21 66.12 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.774 -0.648 . . . . 51.23 111.544 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -60.7 -49.64 76.71 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 111.832 0.308 . . . . 74.14 111.832 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -61.23 -28.63 69.29 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.924 0.49 . . . . 73.02 112.04 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.8 m -68.28 -55.84 10.72 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.144 0.578 . . . . 72.23 111.37 173.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.22 -29.16 68.74 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 112.99 0.737 . . . . 62.42 112.99 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.1 m -78.73 -32.82 46.95 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.172 0.589 . . . . 71.23 110.682 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 121.036 0.446 . . . . 74.44 109.841 171.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.5 p . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.766 0.317 . . . . 64.22 111.648 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -64.39 -24.71 67.73 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.371 0.668 . . . . 63.21 111.616 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.38 -46.75 47.15 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.658 0.783 . . . . 72.33 111.22 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -61.78 -38.62 88.74 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.105 0.562 . . . . 73.34 111.124 174.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.471 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 67.6 mt -64.74 -47.97 76.28 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.495 0.718 . . . . 71.14 111.241 175.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.44 73.71 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.089 0.956 . . . . 73.15 112.833 -174.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -62.44 -42.41 99.43 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.988 0.515 . . . . 64.24 111.746 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.412 HD22 HG23 ' A' ' 50' ' ' ILE . 84.7 mt -66.7 -36.68 83.07 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.653 -0.703 . . . . 73.5 111.377 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.488 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 47.9 mtpt -72.48 -44.1 62.76 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.184 0.594 . . . . 72.45 111.977 -177.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.1 t -60.84 -43.38 95.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 122.753 0.421 . . . . 70.24 110.632 176.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.6 t -63.98 -38.51 91.35 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 115.819 -0.628 . . . . 73.53 111.204 174.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -62.85 -33.66 75.73 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.044 0.937 . . . . 75.14 112.099 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 77.6 mt -71.55 -33.25 68.96 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.59 0.356 . . . . 73.32 111.842 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -77.04 -43.39 34.7 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.26 0.553 . . . . 55.4 110.831 173.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.61 102.83 4.0 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.783 1.233 . . . . 63.52 110.201 -175.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.63 -29.4 68.71 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.632 0.73 . . . . 72.2 110.812 178.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -111.82 91.93 16.32 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 125.38 1.472 . . . . 73.5 107.754 171.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -75.53 143.45 27.45 Favored 'Trans proline' 0 C--N 1.366 1.476 0 C-N-CA 122.595 2.197 . . . . 62.54 113.074 -175.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -67.51 153.73 43.03 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.008 0.523 . . . . 71.43 109.923 173.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' O ' HG13 ' A' ' 37' ' ' ILE . 19.2 t70 -54.21 -40.91 68.08 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.093 0.557 . . . . 51.33 111.926 -177.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.8 t -63.25 -38.56 91.65 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.114 0.966 . . . . 71.23 112.31 176.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.68 -43.3 97.06 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.483 0.713 . . . . 65.34 110.757 175.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.0 mt -62.12 -36.23 73.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.796 0.839 . . . . 74.41 110.832 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.511 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 85.3 mt -63.1 -46.3 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 122.857 0.463 . . . . 64.12 110.724 174.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -55.26 -43.51 74.74 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.018 0.527 . . . . 64.24 111.029 175.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.6 -35.3 77.46 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.46 -0.791 . . . . 74.33 111.576 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.2 mtm -67.4 -39.87 85.6 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 122.513 0.325 . . . . 72.54 111.038 171.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 37' ' ' ILE . 32.2 mmmt -65.35 -29.2 69.9 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.495 0.718 . . . . 75.11 111.721 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.4 mm -92.37 -64.61 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 C-N-CA 122.9 0.48 . . . . 52.52 111.153 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.8 p -66.14 -33.39 75.67 Favored 'General case' 0 N--CA 1.502 2.146 0 N-CA-C 113.012 0.745 . . . . 73.45 113.012 -172.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.68 -0.35 67.55 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-N 116.378 -0.374 . . . . 34.42 113.684 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.4 mt -74.83 175.96 7.53 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.953 0.901 . . . . 72.45 112.132 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -101.33 159.4 15.3 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 115.802 -0.635 . . . . 63.31 110.854 172.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HG2' ' HE2' ' A' ' 51' ' ' LYS . 38.6 ttmt -56.23 -36.04 68.04 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.215 1.006 . . . . 71.35 112.426 -177.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.38 -54.94 32.04 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-N 115.995 -0.548 . . . . 62.15 112.906 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -56.22 -40.18 73.67 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 123.844 0.857 . . . . 75.34 112.444 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.412 HG23 HD22 ' A' ' 21' ' ' LEU . 72.6 mt -65.65 -47.88 84.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-N 115.199 -0.909 . . . . 64.35 111.731 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' HE2' ' HG2' ' A' ' 47' ' ' LYS . 55.6 mtmt -69.0 -29.83 68.11 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 112.171 0.434 . . . . 73.33 112.171 178.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -64.91 -34.49 78.53 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.234 0.614 . . . . 73.33 110.662 172.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -69.49 -49.93 50.07 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.291 174.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -61.35 -30.97 70.85 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.435 0.694 . . . . 71.21 111.791 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.1 t -61.92 -53.44 55.66 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.368 0.667 . . . . 72.52 110.949 175.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -63.55 -45.06 92.28 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.358 0.663 . . . . 73.24 111.665 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 27.8 m -63.98 -35.6 81.24 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.813 0.845 . . . . 64.35 111.964 -176.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? . . . . . 0 N--CA 1.487 1.418 0 C-N-CA 123.274 0.63 . . . . 72.34 111.197 170.75 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.9 p . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 112.678 0.621 . . . . 64.42 112.678 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -64.82 -31.57 72.86 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.302 0.641 . . . . 70.03 111.548 -172.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 2.1 mp0 -69.14 -50.69 45.52 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.883 0.873 . . . . 73.31 109.409 179.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.464 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 76.5 mt-30 -59.31 -54.93 41.22 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.727 1.211 . . . . 72.01 112.525 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 tt -58.66 -37.9 77.0 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 124.075 0.95 . . . . 75.32 110.625 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -64.41 -49.46 71.44 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.286 0.634 . . . . 54.51 112.135 177.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 39.3 mm-40 -56.93 -40.23 75.99 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.582 0.753 . . . . 74.14 112.047 179.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 17' ' ' GLN . 85.9 mt -68.81 -40.19 79.66 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.146 -0.934 . . . . 75.13 111.255 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 48.6 mtpt -65.69 -41.92 91.82 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.59 0.356 . . . . 73.34 111.833 176.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.433 HG12 ' HE2' ' A' ' 27' ' ' LYS . 83.2 t -59.7 -44.02 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 123.343 0.657 . . . . 72.43 110.856 177.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 t -65.68 -35.58 81.19 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.431 0.692 . . . . 75.42 111.762 175.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -68.81 -34.97 76.4 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.852 0.861 . . . . 73.13 111.708 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 94.8 mt -74.73 -25.89 59.42 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.421 0.689 . . . . 53.04 111.722 178.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HE2' HG12 ' A' ' 23' ' ' VAL . 66.4 mttm -70.65 -55.18 9.34 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.587 0.708 . . . . 52.1 109.831 169.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -151.89 122.13 7.23 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 114.601 -1.181 . . . . 74.51 109.469 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -72.97 -6.2 43.81 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 112.356 0.502 . . . . 74.41 112.356 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -122.55 93.01 48.79 Favored Pre-proline 0 CA--C 1.556 1.208 0 C-N-CA 124.767 1.227 . . . . 61.03 108.809 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -77.44 143.76 22.18 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 122.953 2.435 . . . . 50.44 113.408 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -78.33 147.43 34.22 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.519 -0.764 . . . . 54.43 110.023 173.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -63.77 -34.95 79.05 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 122.821 0.448 . . . . 74.34 112.055 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.2 m -69.06 -35.09 76.17 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.157 0.583 . . . . 74.01 111.685 173.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -63.87 -37.13 86.25 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.313 0.578 . . . . 71.44 110.63 173.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.469 HG21 ' HG3' ' A' ' 47' ' ' LYS . 90.7 mt -66.55 -36.08 76.41 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 C-N-CA 123.74 0.816 . . . . 75.44 111.603 175.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.455 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 47.9 mm -54.69 -43.24 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 C-N-CA 123.062 0.545 . . . . 75.32 110.607 174.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -63.34 -45.18 92.43 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 123.905 0.882 . . . . 72.02 111.396 175.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.0 -38.78 89.89 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 123.409 0.684 . . . . 62.03 112.719 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.455 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 67.9 mtm -60.59 -29.97 69.53 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 123.554 0.742 . . . . 73.54 112.527 -177.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -68.3 -38.76 81.93 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.477 0.711 . . . . 54.33 111.873 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.8 mm -88.63 -35.71 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.246 0.619 . . . . 73.35 111.621 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.464 ' HB ' ' HG2' ' A' ' 17' ' ' GLN . 66.5 p -81.1 -51.43 8.47 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.025 0.53 . . . . 54.14 112.022 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.1 24.4 27.15 Favored Glycine 0 N--CA 1.474 1.224 0 CA-C-N 115.909 -0.587 . . . . 72.34 112.379 -170.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.0 mt -98.78 164.15 12.34 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.177 0.991 . . . . 71.11 110.417 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.2 p -85.59 159.07 19.96 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 109.452 -0.573 . . . . 73.32 109.452 168.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HG3' HG21 ' A' ' 36' ' ' ILE . 5.4 ttpm? -59.4 -38.61 80.99 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.917 0.487 . . . . 71.31 110.952 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.434 ' O ' ' HG2' ' A' ' 52' ' ' LYS . . . -57.03 -50.53 63.48 Favored Glycine 0 CA--C 1.542 1.724 0 O-C-N 123.8 0.687 . . . . 74.13 113.738 174.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.8 -43.83 81.31 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.119 0.967 . . . . 64.52 112.503 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.87 -44.72 96.23 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-N 115.633 -0.712 . . . . 64.32 111.291 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -61.56 -34.25 75.26 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 111.834 0.309 . . . . 72.02 111.834 177.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 48' ' ' GLY . 75.0 mmtt -61.4 -51.9 66.81 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.79 0.436 . . . . 75.13 110.559 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -56.22 -48.7 75.93 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.813 0.696 . . . . 71.23 111.493 -176.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -63.46 -35.62 81.05 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.257 0.623 . . . . 75.12 112.315 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.9 m -62.32 -46.92 86.56 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 122.544 0.338 . . . . 53.32 111.141 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.74 -35.59 80.48 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.261 0.624 . . . . 63.12 112.22 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.1 m -71.77 -35.24 70.0 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 123.0 0.52 . . . . 75.54 111.162 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? . . . . . 0 N--CA 1.485 1.297 0 C-N-CA 123.626 0.77 . . . . 74.14 111.266 170.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.444 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 30.1 p . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 112.61 0.596 . . . . 74.51 112.61 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' A' ' 18' ' ' LEU . 65.2 tttp -54.33 -32.57 56.96 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.642 1.177 . . . . 73.53 112.453 177.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -66.02 -42.57 89.47 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.218 1.007 . . . . 71.15 110.719 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -68.87 -41.18 78.73 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.436 0.694 . . . . 74.44 111.036 176.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.569 HD22 ' HE1' ' A' ' 53' ' ' TRP . 82.2 mt -57.95 -38.86 76.77 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.749 0.82 . . . . 73.23 111.497 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.04 -51.25 66.91 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 124.336 1.054 . . . . 55.13 113.474 -175.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -67.35 -34.33 77.1 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.432 0.693 . . . . 62.51 111.343 -177.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.565 HD22 HG23 ' A' ' 50' ' ' ILE . 62.0 mt -70.44 -35.93 73.64 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 114.956 -1.02 . . . . 73.51 111.233 176.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -62.28 -51.18 68.75 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.691 0.796 . . . . 41.44 110.886 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -63.45 -31.52 53.2 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.329 0 CA-C-N 115.676 -0.693 . . . . 60.3 111.214 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.1 t -68.78 -45.46 71.28 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 123.23 0.612 . . . . 62.34 111.154 172.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -62.89 -35.13 79.03 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.314 1.046 . . . . 63.23 111.667 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.6 -18.34 61.98 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.997 0.919 . . . . 64.42 112.901 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -94.89 -54.82 3.32 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.97 0.508 . . . . 73.45 109.742 166.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -155.11 144.37 21.07 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.181 0.808 . . . . 74.41 113.181 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.687 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 29.8 tt0 -71.01 -29.94 66.02 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.355 0.662 . . . . 74.11 110.604 165.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -107.5 88.71 4.35 Favored Pre-proline 0 CA--C 1.558 1.288 0 C-N-CA 124.333 1.053 . . . . 72.22 109.73 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 29' ' ' GLN . 43.4 Cg_endo -91.9 -168.56 0.24 Allowed 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 123.159 2.573 . . . . 63.43 112.698 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.459 ' O ' HG13 ' A' ' 36' ' ' ILE . 83.1 m-70 -87.05 146.34 26.13 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.148 0.579 . . . . 73.12 111.367 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.22 -53.22 60.74 Favored 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 123.761 0.824 . . . . 60.34 112.453 -172.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.2 t -62.56 -32.22 73.16 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 123.536 0.734 . . . . 52.54 112.429 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -66.36 -38.09 86.8 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 123.898 0.879 . . . . 73.21 111.45 176.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 32' ' ' HIS . 49.4 mt -68.9 -36.42 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 C-N-CA 123.135 0.574 . . . . 73.35 110.539 175.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.3 mt -58.47 -41.36 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 123.112 0.565 . . . . 53.44 110.809 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.449 ' O ' HG12 ' A' ' 42' ' ' ILE . 38.5 ttm180 -68.93 -37.63 79.02 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 116.218 -0.446 . . . . 71.4 111.266 174.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.1 mt -59.67 -34.6 73.05 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.71 0.404 . . . . 73.21 111.336 173.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 52.6 mtm -63.87 -38.28 90.5 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 122.825 0.45 . . . . 32.41 110.886 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -69.88 -34.97 74.27 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.657 0.783 . . . . 72.42 111.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 38' ' ' ARG . 43.7 mm -78.72 -46.22 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 123.136 0.574 . . . . 65.13 111.53 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.6 p -83.47 -47.65 11.15 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.065 0.546 . . . . 70.44 112.054 -174.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.11 7.73 43.09 Favored Glycine 0 N--CA 1.48 1.618 0 C-N-CA 123.054 0.359 . . . . 40.23 112.749 -172.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.4 mt -88.46 174.87 7.86 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.308 1.043 . . . . 74.0 111.185 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.483 ' OG1' ' HG2' ' A' ' 49' ' ' GLU . 11.8 p -96.18 170.45 9.25 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 120.887 0.375 . . . . 63.24 110.821 175.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -56.62 -41.18 76.65 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.224 1.01 . . . . 63.34 111.183 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.93 -36.83 51.49 Favored Glycine 0 CA--C 1.537 1.445 0 CA-C-N 114.784 -1.098 . . . . 64.24 114.204 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.483 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 34.5 mm-40 -63.42 -35.61 80.99 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 118.107 0.954 . . . . 72.03 112.508 -178.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.565 HG23 HD22 ' A' ' 21' ' ' LEU . 89.9 mt -68.43 -40.75 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 CA-C-N 115.506 -0.77 . . . . 74.54 111.136 178.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -70.42 -34.94 73.07 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.043 0.537 . . . . 75.4 112.07 175.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -60.19 -40.55 90.43 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.92 0.488 . . . . 73.14 110.265 171.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.569 ' HE1' HD22 ' A' ' 18' ' ' LEU . 86.1 t90 -62.75 -48.93 77.06 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 123.902 0.751 . . . . 74.44 110.717 176.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.687 ' HB3' ' HG3' ' A' ' 29' ' ' GLN . 19.4 m-85 -56.28 -49.52 74.0 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.127 0.571 . . . . 73.13 111.956 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -63.65 -43.2 97.47 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.561 0.744 . . . . 72.33 111.906 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.3 -37.87 78.0 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.938 0.895 . . . . 54.1 111.707 -177.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.6 m -68.03 -33.49 74.69 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.799 0.84 . . . . 51.34 111.185 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.492 ' HB2' HE22 ' A' ' 29' ' ' GLN . 25.6 ttt180 . . . . . 0 CA--C 1.552 1.056 0 C-N-CA 122.573 0.349 . . . . 74.43 110.864 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 111.464 0.172 . . . . 70.11 111.464 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -64.72 -21.59 66.79 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 112.354 0.502 . . . . 52.25 112.354 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.87 -49.97 72.76 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.734 0.814 . . . . 75.43 110.43 172.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -70.48 -47.33 61.11 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.611 -1.177 . . . . 74.25 110.788 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 tt -55.52 -37.9 68.53 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 125.426 1.49 . . . . 65.3 110.875 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -58.89 -50.87 72.41 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.585 0.754 . . . . 71.43 111.73 176.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -61.74 -40.02 93.64 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.165 0.586 . . . . 71.11 111.674 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.9 mt -67.46 -36.44 81.15 Favored 'General case' 0 CA--C 1.555 1.169 0 CA-C-N 115.26 -0.882 . . . . 63.11 111.258 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -68.11 -43.5 78.29 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 123.559 0.744 . . . . 55.54 111.673 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 19' ' ' ALA . 94.1 t -58.47 -40.99 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.166 0.587 . . . . 64.11 110.846 175.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.8 t -72.58 -32.66 66.18 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.175 0.59 . . . . 73.55 111.992 176.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -69.38 -40.67 77.27 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 123.928 0.891 . . . . 65.2 111.994 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.0 -23.74 64.13 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.697 0.799 . . . . 75.34 111.684 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -79.41 -49.73 11.89 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.388 0.675 . . . . 73.13 110.473 171.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -159.97 118.1 2.67 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.24 1.016 . . . . 61.01 109.945 -171.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.439 ' NE2' ' H ' ' A' ' 29' ' ' GLN . 2.0 mp0 -70.31 -29.74 66.55 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.797 0.839 . . . . 54.52 111.911 -176.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -116.28 82.54 11.83 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 124.319 1.047 . . . . 73.42 109.314 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -72.55 141.38 34.54 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 122.535 2.157 . . . . 64.35 112.574 -175.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -66.81 154.16 41.57 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.64 -0.709 . . . . 71.5 110.258 172.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.551 ' O ' HG12 ' A' ' 37' ' ' ILE . 7.6 m-20 -55.32 -33.69 63.54 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.06 0.763 . . . . 73.41 113.06 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.8 m -56.92 -45.98 82.32 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.679 0.791 . . . . 44.24 111.855 175.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -66.07 -37.6 86.21 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.329 0.652 . . . . 63.23 111.061 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.431 ' O ' ' HG3' ' A' ' 40' ' ' MET . 79.1 mt -68.82 -35.25 68.67 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 C-N-CA 123.182 0.593 . . . . 63.33 112.092 -178.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 33' ' ' ASP . 42.5 mm -61.36 -44.76 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 CA-C-O 121.558 0.694 . . . . 63.24 109.572 173.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -59.9 -40.72 89.72 Favored 'General case' 0 CA--C 1.559 1.316 0 CA-C-N 114.334 -1.303 . . . . 74.3 111.676 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.7 -37.7 82.65 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.334 0.654 . . . . 73.21 111.424 176.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.502 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 56.7 mtm -62.72 -32.37 73.48 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 122.926 0.49 . . . . 50.04 111.546 177.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -63.44 -35.7 81.28 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.626 0.77 . . . . 64.12 112.349 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.51 -50.59 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 123.027 0.531 . . . . 72.52 111.643 -173.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.8 p -70.81 -38.77 73.32 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.64 0.776 . . . . 72.21 111.986 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.23 -3.37 86.75 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-N 116.65 -0.25 . . . . 51.25 112.937 -173.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . 94.3 mt -74.97 166.98 22.8 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.001 0.921 . . . . 70.52 111.143 176.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.4 p -90.18 166.24 13.49 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.615 0.366 . . . . 73.42 110.128 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -54.97 -35.98 64.87 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 123.556 0.743 . . . . 75.24 111.912 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.01 -44.24 89.06 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 115.376 -0.829 . . . . 74.53 113.36 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 30.3 mm-40 -64.79 -36.82 85.55 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.183 0.593 . . . . 54.02 111.294 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.6 mt -70.94 -55.62 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 115.311 -0.859 . . . . 74.53 111.509 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -58.52 -34.44 70.97 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 118.288 0.494 . . . . 74.41 111.857 176.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.9 -45.82 92.07 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.448 0.468 . . . . 71.44 110.873 175.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -59.96 -48.63 80.92 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.527 0.331 . . . . 71.1 111.282 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -62.59 -38.14 88.97 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 122.998 0.519 . . . . 73.02 112.197 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.8 p -71.18 -38.72 72.12 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.662 0.385 . . . . 64.41 111.588 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.91 -28.12 68.05 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.046 0.538 . . . . 53.44 111.995 173.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.6 m -84.41 -27.74 27.4 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.986 0.514 . . . . 63.31 110.719 176.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.219 0.533 . . . . 72.04 109.999 166.896 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 19.6 p . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 111.417 0.155 . . . . 61.5 111.417 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -73.54 -24.11 60.08 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.897 0.479 . . . . 62.11 111.466 174.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.61 -43.95 75.33 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.615 0.721 . . . . 74.42 110.296 174.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -69.57 -45.33 68.94 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 114.966 -1.015 . . . . 75.32 110.799 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.483 HD22 ' HE2' ' A' ' 22' ' ' LYS . 1.3 tt -62.06 -33.9 75.26 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.946 1.298 . . . . 71.43 110.982 -178.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.67 -50.6 73.24 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.691 0.796 . . . . 50.52 111.923 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -65.47 -38.15 88.95 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 116.041 -0.527 . . . . 75.21 111.586 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.486 HD23 HD13 ' A' ' 39' ' ' LEU . 92.8 mt -64.01 -38.73 92.16 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-N 115.672 -0.694 . . . . 73.1 111.631 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.483 ' HE2' HD22 ' A' ' 18' ' ' LEU . 63.0 mttm -61.69 -47.73 83.98 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.355 0.662 . . . . 74.42 111.192 174.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -56.63 -45.31 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.369 0.668 . . . . 72.13 110.905 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.57 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 25.9 t -68.85 -31.22 70.02 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.608 0.763 . . . . 75.34 112.05 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -67.65 -31.86 72.15 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.063 0.945 . . . . 53.51 111.004 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 79.4 mt -65.81 -34.98 79.41 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.377 0.671 . . . . 62.45 111.601 174.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.57 ' HD3' ' HA ' ' A' ' 24' ' ' SER . 0.6 OUTLIER -65.97 -58.88 4.53 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 109.376 -0.602 . . . . 74.34 109.376 170.03 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.412 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -174.56 142.19 0.72 Allowed 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 114.826 -1.079 . . . . 63.01 110.967 -175.159 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -73.54 -26.92 61.07 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 121.391 0.615 . . . . 53.35 111.655 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -114.69 79.91 6.01 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 123.045 0.538 . . . . 72.44 109.646 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HB2' HG13 ' A' ' 36' ' ' ILE . 16.8 Cg_exo -69.39 162.29 42.47 Favored 'Trans proline' 0 C--N 1.385 2.48 0 C-N-CA 122.873 2.382 . . . . 73.31 114.047 -176.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -73.74 -77.34 0.11 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.506 0.723 . . . . 64.3 111.453 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -158.25 -58.16 0.07 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.898 0.479 . . . . 73.32 111.39 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 t -61.9 -30.07 70.63 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.584 0.754 . . . . 65.03 112.178 -177.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.58 -44.72 93.23 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.864 0.866 . . . . 71.35 110.956 174.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.576 HG21 ' HG3' ' A' ' 47' ' ' LYS . 63.7 mt -67.1 -47.39 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 C-N-CA 123.332 0.653 . . . . 64.11 111.073 177.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.9 mt -65.33 -31.89 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.854 0.861 . . . . 75.51 111.324 -177.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -57.71 -46.94 83.71 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.674 0.79 . . . . 75.24 110.464 171.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.486 HD13 HD23 ' A' ' 21' ' ' LEU . 45.3 mt -65.51 -41.26 93.37 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.503 -0.771 . . . . 74.43 111.203 176.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.2 mtp -57.96 -32.98 68.36 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 123.495 0.718 . . . . 70.23 111.927 178.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.22 -30.62 38.62 Favored 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 113.11 0.782 . . . . 63.24 113.11 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.4 mm -97.34 -57.69 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 122.105 -0.372 . . . . 72.25 111.942 -176.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 p -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.268 0.627 . . . . 33.22 111.668 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.17 0.07 80.92 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-N 116.127 -0.488 . . . . 72.24 113.298 -175.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.8 mt -75.86 154.55 36.02 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.616 0.766 . . . . 62.22 111.102 173.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.3 p -79.4 162.1 25.74 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.954 -0.566 . . . . 71.4 110.426 175.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.576 ' HG3' HG21 ' A' ' 36' ' ' ILE . 40.7 ttmt -56.3 -34.91 66.94 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.279 0.632 . . . . 72.23 111.847 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.06 -43.35 95.88 Favored Glycine 0 CA--C 1.537 1.447 0 CA-C-N 116.001 -0.545 . . . . 23.21 113.757 176.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -62.08 -45.69 92.38 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.77 0.828 . . . . 65.34 112.127 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.43 HD13 ' HB2' ' A' ' 39' ' ' LEU . 95.9 mt -62.51 -52.83 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.168 0 C-N-CA 123.962 0.905 . . . . 73.15 111.913 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -56.75 -38.26 72.16 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.516 0.726 . . . . 32.44 112.252 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.54 -48.36 77.83 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.996 -0.547 . . . . 63.5 111.076 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -56.62 -48.47 77.42 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.926 0.766 . . . . 74.31 111.163 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -55.56 -44.96 77.31 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 124.081 0.863 . . . . 72.42 112.114 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.3 t -64.28 -37.75 88.58 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.865 0.466 . . . . 74.11 111.684 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -75.83 -26.51 57.27 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.984 0.735 . . . . 71.32 112.984 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 m -56.14 -42.87 77.61 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.248 0.833 . . . . 70.33 113.248 -171.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 112.478 0.547 . . . . 72.41 112.478 -179.145 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.8 p . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.843 -0.429 . . . . 75.02 109.843 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -68.9 -21.96 64.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 122.083 -0.385 . . . . 74.4 111.08 174.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.27 -39.35 86.06 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.09 0.556 . . . . 73.12 110.948 173.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -76.57 -52.94 8.76 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.667 0.746 . . . . 73.14 111.672 176.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.99 -39.36 83.26 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 124.612 1.165 . . . . 75.21 112.179 -169.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.34 -32.66 74.14 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 112.726 0.639 . . . . 63.21 112.726 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -67.32 -38.58 85.15 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.865 0.466 . . . . 62.12 111.514 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.57 -35.95 75.84 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 115.989 -0.55 . . . . 74.3 111.046 173.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.49 ' HA ' ' HH2' ' A' ' 53' ' ' TRP . 7.1 tmtt? -67.73 -52.69 34.59 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.417 1.087 . . . . 72.22 110.849 -173.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.619 HG12 ' HE2' ' A' ' 27' ' ' LYS . 62.3 t -67.54 -35.55 73.52 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 123.593 0.757 . . . . 65.41 110.942 178.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.9 t -63.55 -34.66 78.29 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 122.978 0.511 . . . . 74.22 111.602 174.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -68.49 -42.64 78.34 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.345 0.658 . . . . 63.33 111.374 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.44 -27.66 67.68 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.459 0.704 . . . . 71.51 111.734 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.619 ' HE2' HG12 ' A' ' 23' ' ' VAL . 64.4 mttm -85.5 -39.95 16.89 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.656 0.782 . . . . 64.55 111.55 174.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -159.13 129.21 5.73 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.528 0.731 . . . . 60.53 111.248 -174.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.29 -28.35 31.8 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.905 0.882 . . . . 74.31 111.704 -175.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -131.5 86.74 48.71 Favored Pre-proline 0 N--CA 1.486 1.361 0 C-N-CA 123.469 0.708 . . . . 64.32 110.679 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -77.91 162.51 29.33 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.812 2.341 . . . . 72.15 112.782 175.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -69.92 147.58 50.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.264 0.626 . . . . 74.11 110.893 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -60.24 -35.98 76.69 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.24 0.616 . . . . 63.11 112.64 -177.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m -73.93 -34.14 64.21 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.153 0.581 . . . . 61.43 111.446 176.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.55 -31.96 72.4 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.037 0.935 . . . . 73.23 111.151 173.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -66.92 -33.18 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.793 0.837 . . . . 75.42 111.402 174.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.411 ' HA ' ' SD ' ' A' ' 40' ' ' MET . 65.9 mt -59.49 -35.66 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 122.839 0.456 . . . . 75.23 111.25 176.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -61.43 -48.63 80.32 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.19 0.596 . . . . 74.31 110.895 171.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.59 -29.82 70.28 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.251 0.62 . . . . 65.43 112.277 175.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.411 ' SD ' ' HA ' ' A' ' 37' ' ' ILE . 76.7 mtp -70.51 -36.76 73.94 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.878 0.871 . . . . 73.1 110.961 176.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -78.41 -10.7 59.8 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.413 0.685 . . . . 64.12 112.225 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.1 mm -91.73 -49.3 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.294 0.638 . . . . 74.22 110.53 170.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.8 p -76.73 -58.63 3.17 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.486 0.714 . . . . 65.32 111.73 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.55 1.87 32.79 Favored Glycine 0 N--CA 1.476 1.322 0 CA-C-N 116.061 -0.518 . . . . 61.5 112.313 -169.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 74.5 mt -88.03 178.22 6.72 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.434 1.094 . . . . 71.02 111.124 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.5 p -93.02 169.07 10.7 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.938 0.495 . . . . 63.43 111.08 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -66.93 -33.23 75.12 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.279 0.632 . . . . 74.34 110.666 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.04 -37.29 87.34 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-N 115.562 -0.745 . . . . 75.3 113.196 175.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -57.18 -49.47 75.88 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.853 0.861 . . . . 72.31 111.235 173.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.3 mt -73.87 -46.05 47.72 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.449 0 C-N-CA 123.603 0.761 . . . . 72.01 112.638 -174.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -54.28 -45.58 72.5 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 123.17 0.588 . . . . 75.01 111.433 173.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -65.54 -43.55 89.63 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.994 0.918 . . . . 62.14 111.514 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.49 ' HH2' ' HA ' ' A' ' 22' ' ' LYS . 78.5 t90 -60.65 -49.99 75.29 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.462 0.705 . . . . 75.55 111.88 -174.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -59.79 -34.98 73.75 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.551 0.741 . . . . 70.13 112.023 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.8 m -71.65 -42.8 67.11 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.119 0.568 . . . . 61.53 112.164 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -72.66 -30.94 64.7 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 112.493 0.553 . . . . 71.24 112.493 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.8 m -72.33 -37.09 68.98 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.672 0.789 . . . . 73.14 110.174 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 50.2 ttt85 . . . . . 0 CA--C 1.553 1.076 0 C-N-CA 124.376 1.07 . . . . 64.31 111.328 172.449 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.531 0.205 . . . . 52.5 111.498 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -130.79 -46.19 1.05 Allowed 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 123.81 0.844 . . . . 74.43 110.334 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.1 mmt -97.06 103.83 16.69 Favored Pre-proline 0 CA--C 1.561 1.381 0 C-N-CA 123.786 0.834 . . . . 65.2 109.833 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -83.59 6.54 5.73 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.481 2.121 . . . . 74.41 114.472 -174.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -139.16 140.73 37.94 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.462 0.649 . . . . 74.01 112.28 -175.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -150.74 12.13 0.69 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.077 1.351 . . . . 73.22 109.806 168.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -105.92 98.55 8.22 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.114 0.965 . . . . 64.43 111.083 -168.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.32 91.37 1.53 Allowed Glycine 0 CA--C 1.535 1.341 0 CA-C-N 115.876 -0.602 . . . . 74.34 113.181 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.8 mt -61.94 104.83 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 C-N-CA 123.723 0.809 . . . . 45.34 110.759 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 59.34 19.29 7.51 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.207 1.003 . . . . 71.45 113.125 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.73 132.26 36.89 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.215 0.606 . . . . 52.23 111.27 -176.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.99 132.26 35.37 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.893 0.877 . . . . 74.12 110.249 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -66.57 112.8 4.32 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 122.595 0.358 . . . . 74.14 110.17 176.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.5 p -60.45 161.71 7.12 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 122.963 0.505 . . . . 74.02 111.111 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.9 -36.26 67.47 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.985 0.514 . . . . 71.41 111.496 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.71 -49.81 64.84 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.936 0.494 . . . . 63.34 111.901 177.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -62.89 -41.5 99.44 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.674 0.749 . . . . 65.54 111.368 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 tt -70.07 -33.67 72.2 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 125.335 1.454 . . . . 63.41 110.808 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.82 -33.2 70.44 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.257 0.623 . . . . 72.12 112.487 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -65.28 -37.61 87.69 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.198 0.523 . . . . 65.2 110.702 173.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.38 -38.03 89.55 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 115.518 -0.765 . . . . 71.45 110.887 172.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 94.3 mttt -60.66 -43.54 97.52 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 122.73 0.412 . . . . 71.34 111.828 174.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.94 -41.51 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 C-N-CA 123.142 0.577 . . . . 74.11 111.215 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.45 ' HB3' ' HZ ' ' A' ' 54' ' ' PHE . 38.7 t -66.79 -35.66 80.59 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.522 -0.763 . . . . 74.15 112.094 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -72.07 -38.05 69.52 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 122.737 0.415 . . . . 73.45 111.358 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 87.3 mt -67.06 -38.09 85.18 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.616 0.766 . . . . 72.25 112.027 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HG3' ' ND2' ' A' ' 28' ' ' ASN . 19.8 ptpt -76.11 -39.53 54.98 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.367 0.267 . . . . 73.52 111.377 177.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.451 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 5.3 p30 -159.56 124.98 4.16 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.538 0.735 . . . . 50.54 110.967 174.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -73.15 -14.18 61.32 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.775 0.83 . . . . 64.11 112.537 -173.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -120.66 89.85 45.36 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 124.446 1.099 . . . . 62.14 108.574 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.451 ' HA ' ' OD1' ' A' ' 28' ' ' ASN . 21.3 Cg_exo -65.05 137.04 50.79 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.241 2.627 . . . . 73.34 114.339 -171.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -73.31 149.4 42.7 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.214 0.606 . . . . 74.21 109.95 171.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -57.38 -40.83 78.99 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.509 0.723 . . . . 63.42 112.629 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.0 m -63.37 -36.9 85.23 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.368 0.667 . . . . 50.35 112.172 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 13.2 tp10 -67.89 -38.66 83.29 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.231 0.612 . . . . 61.41 110.855 175.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.507 HG21 ' HG3' ' A' ' 47' ' ' LYS . 93.3 mt -64.11 -41.7 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.794 0.837 . . . . 60.04 111.661 176.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.45 -40.13 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 122.625 0.37 . . . . 74.34 110.539 174.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -61.14 -38.31 85.94 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 123.221 0.608 . . . . 70.21 111.794 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 84.4 mt -63.93 -43.85 94.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.939 0.496 . . . . 71.1 110.658 173.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 82.6 mtp -58.04 -33.61 69.18 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 123.835 0.854 . . . . 74.51 111.893 175.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -69.65 -52.63 24.11 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.499 0.72 . . . . 75.24 112.16 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.6 mm -70.07 -49.42 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.24 0.616 . . . . 73.45 111.776 -174.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.1 p -81.78 -38.19 26.0 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.521 0.728 . . . . 63.04 112.317 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.77 13.58 56.48 Favored Glycine 0 CA--C 1.537 1.413 0 CA-C-N 116.224 -0.444 . . . . 44.34 113.164 -172.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.3 mt -84.9 177.33 8.0 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.737 0.815 . . . . 63.23 112.768 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.9 p -101.54 153.06 20.06 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 114.949 -1.023 . . . . 74.13 110.008 173.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.507 ' HG3' HG21 ' A' ' 36' ' ' ILE . 37.2 ttmt -60.18 -24.77 65.04 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 123.653 0.781 . . . . 74.21 112.001 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.88 -47.61 53.9 Favored Glycine 0 C--N 1.353 1.487 0 CA-C-N 116.34 -0.391 . . . . 50.25 114.009 174.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -61.84 -35.46 78.33 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 123.148 0.579 . . . . 62.41 111.924 176.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.484 HG21 HG23 ' A' ' 36' ' ' ILE . 79.9 mt -68.97 -53.47 25.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 CA-C-N 115.217 -0.902 . . . . 74.13 111.221 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -57.45 -37.16 72.39 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.299 0.639 . . . . 64.52 112.095 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.25 -52.61 64.94 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.791 0.682 . . . . 71.51 110.707 173.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 87.3 t90 -59.56 -46.92 87.49 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.794 0.838 . . . . 73.05 112.685 -174.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.45 ' HZ ' ' HB3' ' A' ' 24' ' ' SER . 67.9 m-85 -64.74 -29.2 70.17 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 112.818 0.673 . . . . 73.14 112.818 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.5 m -68.63 -38.07 80.24 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 120.809 0.338 . . . . 72.22 110.674 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -67.04 -41.81 85.9 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.179 0.591 . . . . 61.33 111.132 174.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.483 ' HA ' ' HB3' ' A' ' 60' ' ' ASN . 19.5 m -73.34 -27.77 61.69 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.026 0.93 . . . . 73.32 111.822 -176.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -36.83 83.89 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 122.633 0.373 . . . . 64.32 110.585 175.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -77.88 -35.98 50.26 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 122.398 0.279 . . . . 74.11 111.438 171.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.483 ' HB3' ' HA ' ' A' ' 57' ' ' THR . 8.2 t30 -61.9 -27.24 68.67 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.468 0.707 . . . . 64.22 110.95 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.9 -29.54 70.71 Favored 'General case' 0 CA--C 1.564 1.482 0 C-N-CA 124.829 1.252 . . . . 73.51 111.402 174.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.51 ' HB3' ' SG ' ' A' ' 69' ' ' CYS . 16.0 ptt180 -122.06 42.04 3.23 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 124.523 1.129 . . . . 72.14 111.193 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -61.42 -49.5 76.6 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.332 1.234 . . . . 74.25 114.332 -170.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.6 m -77.16 -49.54 14.96 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 123.011 0.524 . . . . 71.35 111.886 -174.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -67.29 -28.76 68.28 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.07 0.548 . . . . 74.1 111.643 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.9 m 72.89 -60.53 0.53 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 126.006 1.722 . . . . 74.3 113.35 172.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -84.31 -70.56 0.56 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.625 0.77 . . . . 71.43 111.723 -176.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -105.5 177.5 4.83 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 122.98 0.512 . . . . 65.13 111.946 -175.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 62' ' ' ARG . 70.8 m -127.58 159.65 33.99 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.835 0.854 . . . . 72.5 111.392 -178.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.2 pp -76.92 152.26 35.4 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 115.935 -0.575 . . . . 60.22 110.567 171.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.7 t60 57.92 38.68 27.01 Favored 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 123.924 0.89 . . . . 74.54 110.906 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.9 tp -65.58 127.7 32.95 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.987 0.915 . . . . 54.33 110.825 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -72.82 125.77 28.34 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.165 0.586 . . . . 64.23 111.772 -176.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 t30 . . . . . 0 CA--C 1.564 1.508 0 C-N-CA 123.911 0.884 . . . . 70.23 109.969 -179.85 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 120.7 0.286 . . . . 73.21 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -118.95 102.57 8.87 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 107.978 -1.119 . . . . 73.54 107.978 171.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.2 mtt 64.68 103.4 0.03 OUTLIER Pre-proline 0 N--CA 1.496 1.845 0 C-N-CA 125.149 1.38 . . . . 75.35 111.432 -174.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -69.14 125.16 12.12 Favored 'Trans proline' 0 C--N 1.382 2.299 0 C-N-CA 122.605 2.203 . . . . 64.24 113.069 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.34 87.23 0.18 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.704 0.802 . . . . 42.2 110.63 175.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 m -92.03 68.31 5.24 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.858 -0.61 . . . . 65.34 109.883 -176.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -121.78 126.6 49.22 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.269 0.628 . . . . 75.11 111.2 -173.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.02 171.52 42.79 Favored Glycine 0 C--N 1.349 1.26 0 N-CA-C 114.292 0.477 . . . . 54.44 114.292 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -74.16 100.47 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 N-CA-C 108.029 -1.1 . . . . 71.32 108.029 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -120.94 -6.19 9.56 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 113.401 0.889 . . . . 73.25 113.401 -171.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.16 -159.57 0.27 Allowed 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.748 0.819 . . . . 64.2 111.698 -173.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -149.52 148.1 28.98 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.009 0.524 . . . . 53.11 110.708 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -69.45 99.41 1.23 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.145 0.978 . . . . 74.35 110.726 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.9 p -70.65 174.06 6.38 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.462 0.705 . . . . 55.15 111.163 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -65.28 -35.67 81.74 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.145 0.429 . . . . 54.12 111.899 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -72.23 -37.68 69.11 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.642 0.777 . . . . 74.2 111.532 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -70.39 -42.96 71.02 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.28 0.632 . . . . 70.23 111.023 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.8 -34.88 79.4 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.908 1.283 . . . . 72.43 110.569 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.11 90.43 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.668 0.787 . . . . 60.1 112.397 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -67.05 -40.69 87.17 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.003 0.521 . . . . 73.44 111.485 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.438 HD22 HG23 ' A' ' 50' ' ' ILE . 63.7 mt -66.69 -33.03 74.75 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.146 -0.934 . . . . 45.52 111.012 176.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.434 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 5.5 tmtt? -67.7 -49.9 60.33 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.213 1.005 . . . . 64.42 109.929 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.64 -38.93 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.699 0.8 . . . . 71.14 111.289 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.5 t -69.66 -26.26 64.3 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 115.751 -0.659 . . . . 51.24 111.737 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.451 ' HB2' ' HZ3' ' A' ' 53' ' ' TRP . 66.4 t80 -76.87 -34.43 57.8 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.551 0.74 . . . . 72.34 110.994 174.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 95.2 mt -65.29 -42.71 92.86 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.655 0.782 . . . . 72.41 111.496 178.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -70.28 -35.79 73.96 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 122.296 0.239 . . . . 75.33 111.327 176.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -167.43 128.24 1.49 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.565 0.746 . . . . 73.42 110.804 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -68.77 -25.66 64.83 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.114 0.566 . . . . 74.44 112.204 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -124.23 73.31 58.14 Favored Pre-proline 0 CA--C 1.559 1.294 0 C-N-CA 123.716 0.807 . . . . 74.54 109.873 177.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -72.97 151.97 51.06 Favored 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 122.225 1.95 . . . . 74.34 111.96 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -65.32 153.4 41.26 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.673 0.389 . . . . 74.24 111.034 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -66.08 -17.69 64.86 Favored 'General case' 0 CA--C 1.564 1.511 0 N-CA-C 112.653 0.612 . . . . 75.1 112.653 -173.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.1 m -67.31 -35.29 79.14 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.516 0.727 . . . . 73.32 111.631 172.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.64 -42.91 90.92 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.046 0.538 . . . . 73.12 110.031 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -58.65 -37.84 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 C-N-CA 124.251 1.021 . . . . 75.35 112.184 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.456 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 36.7 mm -54.65 -50.34 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 C-N-CA 123.319 0.648 . . . . 60.44 111.126 173.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -66.24 -40.72 90.41 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.425 -0.807 . . . . 72.12 111.273 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.57 -37.55 86.64 Favored 'General case' 0 C--O 1.21 -1.017 0 C-N-CA 123.467 0.707 . . . . 72.22 111.353 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.456 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 68.4 mtm -61.85 -32.89 73.26 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 118.657 0.662 . . . . 61.34 111.872 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -73.49 -41.74 62.74 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.061 0.545 . . . . 75.22 111.595 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.8 mm -78.14 -45.14 27.3 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.428 0 C-N-CA 122.994 0.518 . . . . 75.45 111.563 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.9 p -77.44 -52.44 9.1 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.597 0.759 . . . . 62.3 111.452 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.42 -3.99 37.42 Favored Glycine 0 CA--C 1.538 1.496 0 CA-C-N 116.142 -0.481 . . . . 71.32 113.091 -171.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -75.5 173.96 10.29 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.848 0.859 . . . . 74.22 111.737 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.9 p -102.36 175.78 5.4 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.41 0.684 . . . . 75.45 112.235 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -55.49 -52.08 64.84 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 125.143 1.377 . . . . 64.35 112.356 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.46 -35.53 55.9 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-N 115.336 -0.847 . . . . 44.43 114.039 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -53.77 -53.03 57.94 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.65 0.78 . . . . 71.42 111.993 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.438 HG23 HD22 ' A' ' 21' ' ' LEU . 48.8 mt -64.53 -42.0 93.92 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 CA-C-N 115.625 -0.716 . . . . 74.42 111.956 -177.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -59.63 -42.03 91.81 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 111.763 0.282 . . . . 63.54 111.763 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -63.52 -31.91 73.21 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.443 0.697 . . . . 71.45 112.221 177.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.451 ' HZ3' ' HB2' ' A' ' 25' ' ' TYR . 77.3 t90 -68.6 -50.95 47.61 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 117.9 0.318 . . . . 64.12 110.704 177.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 74.4 m-85 -66.45 -36.18 82.14 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 122.654 0.382 . . . . 73.12 111.825 -177.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 t -67.07 -49.89 63.61 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.087 0.555 . . . . 75.25 111.489 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -75.89 -45.97 32.58 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.113 -0.494 . . . . 54.11 112.082 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.45 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 91.7 m -59.08 -35.15 72.88 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.67 0.788 . . . . 74.23 111.548 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 2.6 tmm_? -54.97 -41.69 71.48 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 123.717 0.807 . . . . 72.2 110.742 174.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -76.68 -34.54 58.2 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-N 115.832 -0.622 . . . . 65.42 111.454 175.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -67.91 -24.19 65.18 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 123.035 0.534 . . . . 73.44 112.403 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 57' ' ' THR . 16.0 mm100 -70.71 -22.5 62.44 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.847 0.459 . . . . 73.11 111.436 173.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.8 -38.27 73.33 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.07 0.548 . . . . 73.32 110.917 171.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -87.06 128.61 35.1 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 109.7 -0.481 . . . . 60.22 109.7 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 82.6 p -65.62 -23.32 66.79 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.635 0.774 . . . . 72.31 112.603 -177.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -83.55 60.2 5.54 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.574 0.749 . . . . 63.23 111.98 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.3 m -83.9 93.27 7.99 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 121.204 0.526 . . . . 52.53 109.746 173.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -77.42 -13.13 59.99 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.489 0.716 . . . . 74.22 111.855 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -72.25 100.2 2.55 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 123.9 0.88 . . . . 74.4 111.582 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.4 t 66.63 -175.73 0.19 Allowed 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 125.108 1.363 . . . . 51.24 113.096 174.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.9 tm? 75.39 -70.41 0.15 Allowed 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 125.672 1.589 . . . . 71.14 111.723 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -65.89 117.79 8.77 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.467 0.707 . . . . 74.04 111.732 -174.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 pp -140.77 -179.98 6.37 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.668 0.787 . . . . 63.54 112.197 -176.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -123.55 143.41 50.22 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.324 1.05 . . . . 64.01 109.863 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.5 t30 . . . . . 0 CA--C 1.567 1.614 0 C-N-CA 123.721 0.809 . . . . 64.32 111.063 178.11 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.9 m . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 110.608 -0.145 . . . . 71.13 110.608 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -69.25 135.16 50.11 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.115 0.566 . . . . 74.22 111.877 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.0 ptp -143.75 129.29 9.87 Favored Pre-proline 0 CA--C 1.559 1.319 0 C-N-CA 123.533 0.733 . . . . 71.32 109.876 172.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.43 164.83 6.56 Favored 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 123.172 2.582 . . . . 62.3 114.848 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 71.75 134.1 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 125.962 1.705 . . . . 72.25 113.076 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -75.81 120.21 20.86 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.714 -0.676 . . . . 74.43 109.871 172.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -71.51 87.67 0.9 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.723 0.809 . . . . 73.5 112.132 -172.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.93 -69.97 0.99 Allowed Glycine 0 CA--C 1.546 2.026 0 N-CA-C 116.48 1.352 . . . . 13.54 116.48 166.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.514 ' H ' HD12 ' A' ' 9' ' ' ILE . 3.7 mp -73.25 95.38 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.238 0 C-N-CA 124.243 1.017 . . . . 62.4 112.198 -168.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.4 ttp-105 -99.11 -5.58 29.94 Favored 'General case' 0 CA--C 1.568 1.654 0 CA-C-N 115.798 -0.637 . . . . 64.03 109.43 158.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 72.62 -73.22 0.1 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.886 1.674 . . . . 64.15 114.147 170.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -67.55 113.42 5.36 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.445 0.698 . . . . 75.04 112.614 -170.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -122.59 115.79 22.75 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.218 1.007 . . . . 73.35 108.451 171.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.6 p -75.78 166.23 23.84 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 112.069 0.396 . . . . 73.53 112.069 -176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -63.07 -50.59 69.98 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.93 0.715 . . . . 70.24 112.93 -169.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 1.2 pm0 -62.21 -27.37 68.93 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 112.576 0.584 . . . . 64.43 112.576 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -66.87 -50.74 61.53 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.212 0.53 . . . . 65.45 110.887 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.469 HD22 ' HE1' ' A' ' 53' ' ' TRP . 92.8 mt -63.95 -30.88 71.92 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 115.672 -0.695 . . . . 70.42 112.084 177.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.43 -47.21 82.83 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.951 0.9 . . . . 61.44 111.995 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.528 ' HG3' HG22 ' A' ' 42' ' ' ILE . 18.7 mm-40 -63.85 -38.74 92.21 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.062 0.545 . . . . 75.12 111.268 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.47 HD11 HD12 ' A' ' 45' ' ' LEU . 98.5 mt -64.57 -37.21 86.78 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 115.227 -0.897 . . . . 70.35 111.538 176.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -72.86 -34.2 66.59 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 112.732 0.642 . . . . 74.31 112.732 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.3 -42.52 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 CA-C-O 121.273 0.559 . . . . 71.42 110.112 172.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 t -64.24 -37.32 87.07 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 115.26 -0.882 . . . . 73.33 111.447 173.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.449 ' OH ' ' HA ' ' A' ' 58' ' ' ARG . 85.2 t80 -69.19 -47.93 63.53 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.613 0.765 . . . . 74.31 112.534 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.38 -34.1 76.06 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.079 0.552 . . . . 72.43 111.517 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -74.73 -47.87 28.95 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 123.709 0.804 . . . . 61.0 111.015 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 31' ' ' PRO . 1.6 p-10 -146.59 105.37 3.84 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.666 1.186 . . . . 72.04 110.664 -174.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -71.15 -24.08 62.19 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.279 0.632 . . . . 73.15 110.791 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -126.86 92.29 44.97 Favored Pre-proline 0 CA--C 1.564 1.514 0 C-N-CA 124.5 1.12 . . . . 74.33 109.429 178.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.415 ' HB3' ' ND2' ' A' ' 28' ' ' ASN . 41.7 Cg_endo -87.96 169.73 6.37 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 123.197 2.598 . . . . 62.54 114.327 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -82.98 169.23 16.21 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 123.808 0.843 . . . . 71.34 111.535 174.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.87 -45.79 90.91 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.53 0.732 . . . . 73.11 112.059 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.0 t -62.34 -32.2 72.94 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 123.918 0.887 . . . . 41.32 112.353 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -62.26 -47.93 82.16 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.102 0.561 . . . . 62.22 110.864 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.458 ' O ' ' HG3' ' A' ' 40' ' ' MET . 66.2 mt -63.39 -38.01 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 CA-C-N 115.105 -0.952 . . . . 75.23 111.534 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.8 -46.24 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 C-N-CA 123.138 0.575 . . . . 73.51 111.315 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.407 ' O ' HG12 ' A' ' 42' ' ' ILE . 54.9 ttt180 -58.76 -49.52 77.35 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.709 -0.678 . . . . 73.15 110.91 173.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.54 -31.15 67.67 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.683 0.793 . . . . 71.43 112.569 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 52.7 mtm -62.82 -40.7 98.2 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-O 120.878 0.37 . . . . 74.12 111.267 175.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -77.23 -32.29 55.69 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.337 0.655 . . . . 72.4 112.249 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.528 HG22 ' HG3' ' A' ' 20' ' ' GLU . 45.6 mm -76.56 -39.25 32.51 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.134 0 C-N-CA 122.957 0.503 . . . . 72.01 110.732 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.7 p -90.65 -61.62 1.63 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.644 0.378 . . . . 74.13 111.333 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.66 -3.91 8.66 Favored Glycine 0 N--CA 1.481 1.639 0 C-N-CA 123.309 0.48 . . . . 45.11 112.744 -172.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.47 HD12 HD11 ' A' ' 21' ' ' LEU . 85.5 mt -85.43 172.58 10.92 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.843 0.857 . . . . 72.24 112.089 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.7 p -96.57 163.58 12.97 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.498 0.719 . . . . 75.21 111.024 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -57.98 -40.36 80.47 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.793 0.837 . . . . 60.44 112.164 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.19 -42.05 99.72 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-N 116.487 -0.324 . . . . 71.14 113.457 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -65.23 -41.36 94.48 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.232 0.613 . . . . 72.25 111.819 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.2 mt -74.03 -43.28 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.234 0.613 . . . . 73.41 112.005 -174.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -60.31 -45.1 94.57 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 122.662 0.385 . . . . 43.14 111.03 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -62.1 -39.97 94.28 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 115.695 -0.684 . . . . 53.11 111.101 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.469 ' HE1' HD22 ' A' ' 18' ' ' LEU . 85.9 t90 -57.98 -48.19 80.75 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 122.734 0.414 . . . . 74.45 111.134 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 52.9 m-85 -59.34 -31.01 68.8 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 122.99 0.516 . . . . 75.45 112.114 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 t -70.26 -53.72 15.72 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.407 0.683 . . . . 20.53 111.718 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.82 -35.87 81.9 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.849 0.86 . . . . 71.02 112.69 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 47.9 m -75.16 -27.75 59.84 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.523 0.729 . . . . 63.23 110.88 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -68.88 -38.42 79.67 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.065 0.546 . . . . 63.54 110.116 170.754 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -64.63 -38.38 90.81 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.558 -0.747 . . . . 63.3 110.896 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -57.36 -37.66 72.94 Favored 'General case' 0 CA--C 1.562 1.419 0 C-N-CA 123.718 0.807 . . . . 71.14 112.474 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -72.96 -34.89 66.78 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 112.532 0.568 . . . . 74.32 112.532 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -89.83 0.67 56.89 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 122.716 0.406 . . . . 73.12 111.808 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -95.24 -30.6 13.9 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.736 0.815 . . . . 62.33 110.481 172.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.8 p -66.6 134.88 53.23 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.223 0.609 . . . . 62.5 110.671 177.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -55.02 -45.39 75.13 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.255 1.022 . . . . 73.33 112.876 -174.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m 65.05 172.62 0.21 Allowed 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.824 1.249 . . . . 71.22 112.873 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -146.27 112.33 5.74 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.718 0.407 . . . . 74.34 111.034 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -85.11 98.53 10.49 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.067 0.547 . . . . 73.34 109.746 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.02 -55.76 5.03 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.941 0.496 . . . . 74.01 111.242 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.73 115.9 9.5 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.256 0.623 . . . . 62.13 110.056 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -109.02 100.5 9.68 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.53 0.732 . . . . 70.21 110.76 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.32 176.19 9.32 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.216 0.606 . . . . 73.34 110.717 170.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -66.43 97.61 0.43 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.656 0.382 . . . . 53.22 110.438 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 CA--C 1.566 1.576 0 C-N-CA 123.634 0.773 . . . . 73.12 111.87 -178.473 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.5 m . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 120.636 0.255 . . . . 63.34 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -125.23 152.51 44.48 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.521 1.129 . . . . 74.32 109.056 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.1 mtm -64.16 134.76 96.06 Favored Pre-proline 0 CA--C 1.563 1.445 0 CA-C-O 118.96 -0.543 . . . . 75.04 110.496 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -53.39 105.91 0.14 Allowed 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 122.944 2.43 . . . . 71.22 114.064 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -77.87 77.74 4.38 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.391 0.676 . . . . 72.53 110.924 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -158.24 165.5 34.69 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.69 0.796 . . . . 71.52 110.99 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -84.75 -25.24 28.41 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.152 0.981 . . . . 75.32 111.614 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.43 54.06 37.16 Favored Glycine 0 C--N 1.357 1.695 0 CA-C-N 116.492 -0.322 . . . . 64.35 112.506 -174.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.49 99.56 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 124.227 1.011 . . . . 64.04 111.914 -168.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 61.54 -72.72 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 125.47 1.508 . . . . 74.01 111.734 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.97 92.38 0.37 Allowed 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 123.558 0.743 . . . . 34.34 110.39 171.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.0 ttmp? -116.82 151.8 35.75 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.541 1.136 . . . . 72.45 110.729 -174.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -128.14 86.1 2.43 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.071 0.548 . . . . 70.4 110.682 174.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.0 p -86.47 170.27 12.1 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 122.822 0.449 . . . . 62.45 110.073 169.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -62.4 -36.21 81.61 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.412 0.285 . . . . 74.03 110.279 174.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.05 -50.15 71.78 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 123.683 0.793 . . . . 53.51 112.082 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 92.8 mt-30 -66.07 -46.64 76.99 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.539 0.736 . . . . 64.23 111.457 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.95 -33.73 76.48 Favored 'General case' 0 CA--C 1.563 1.453 0 C-N-CA 124.573 1.149 . . . . 72.24 111.128 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -66.59 -40.84 89.09 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.467 0.707 . . . . 71.33 112.551 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -65.49 -35.72 81.74 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 121.223 0.535 . . . . 64.51 111.566 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.535 HD22 HG23 ' A' ' 50' ' ' ILE . 71.7 mt -64.46 -34.84 79.14 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 115.59 -0.732 . . . . 64.44 110.995 174.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -67.82 -39.9 83.86 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.258 0.623 . . . . 72.51 111.991 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 19' ' ' ALA . 94.0 t -57.39 -35.0 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 122.918 0.487 . . . . 73.2 111.331 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.7 t -74.74 -50.03 18.9 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.816 0.446 . . . . 72.33 111.757 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' HB2' ' HZ3' ' A' ' 53' ' ' TRP . 57.1 t80 -59.39 -36.54 76.01 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.526 1.13 . . . . 75.35 112.973 -173.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -72.18 -17.5 61.93 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.635 0.774 . . . . 72.3 113.034 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -89.07 -57.32 2.94 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 109.504 -0.554 . . . . 65.55 109.504 166.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -145.97 137.69 25.02 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.297 0.639 . . . . 72.23 110.348 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -72.12 -34.64 68.73 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.813 0.445 . . . . 73.33 110.932 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.558 ' HE1' ' HD3' ' A' ' 58' ' ' ARG . 89.1 m-85 -131.94 87.33 44.93 Favored Pre-proline 0 CA--C 1.558 1.281 0 C-N-CA 123.701 0.8 . . . . 75.54 110.336 177.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -80.29 -174.69 2.36 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 123.186 2.591 . . . . 75.34 113.107 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -68.18 157.71 34.81 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.672 0.389 . . . . 74.3 111.418 174.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.446 ' O ' HG13 ' A' ' 37' ' ' ILE . 9.4 p-10 -63.1 -28.06 69.81 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 112.427 0.529 . . . . 75.11 112.427 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.2 p -63.57 -39.09 93.5 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.639 0.776 . . . . 71.5 112.302 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -65.45 -36.19 83.17 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.766 0.826 . . . . 71.21 110.75 176.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.8 mt -68.79 -33.89 61.79 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.098 0 CA-C-N 115.041 -0.982 . . . . 71.02 111.213 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 33' ' ' ASP . 84.3 mt -67.42 -35.45 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 123.063 0.545 . . . . 73.22 110.851 174.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -57.06 -45.93 82.86 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 122.917 0.487 . . . . 63.54 110.538 170.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.442 ' HB2' HD13 ' A' ' 50' ' ' ILE . 64.7 mt -63.84 -38.45 91.15 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 115.737 -0.665 . . . . 75.04 111.261 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.6 mtp -62.13 -35.9 80.16 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 123.596 0.758 . . . . 63.33 111.97 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -72.16 -23.12 61.24 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.503 0.721 . . . . 72.04 112.864 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.9 mm -100.7 -38.18 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 122.635 0.374 . . . . 63.34 111.579 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.1 p -85.65 -29.77 23.76 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.604 0.762 . . . . 73.4 111.751 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.46 8.44 87.76 Favored Glycine 0 CA--C 1.541 1.706 0 CA-C-N 116.525 -0.307 . . . . 73.14 113.536 -173.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -90.68 -175.25 4.35 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.939 0.896 . . . . 71.04 111.149 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.8 p -109.04 172.5 6.81 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.555 0.342 . . . . 74.42 110.166 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -54.76 -34.43 62.56 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.552 0.741 . . . . 72.42 111.558 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.21 -47.8 89.07 Favored Glycine 0 CA--C 1.539 1.573 0 N-CA-C 114.932 0.733 . . . . 41.24 114.932 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -66.58 -35.22 79.69 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 117.429 0.615 . . . . 75.1 111.639 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.535 HG23 HD22 ' A' ' 21' ' ' LEU . 69.0 mt -74.17 -42.46 51.48 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.133 0 CA-C-N 115.457 -0.792 . . . . 74.33 111.74 -177.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -66.34 -41.31 89.77 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.42 0.688 . . . . 74.45 111.263 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -57.91 -41.05 81.86 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.355 0.662 . . . . 62.35 111.106 172.55 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.422 ' HZ3' ' HB2' ' A' ' 25' ' ' TYR . 80.1 t90 -65.28 -48.25 73.81 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 116.281 -0.418 . . . . 64.44 111.102 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -56.13 -43.01 77.81 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.163 0.585 . . . . 74.02 111.97 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -68.6 -51.21 44.97 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.53 0.732 . . . . 62.31 112.13 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.54 -27.33 67.67 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.629 0.771 . . . . 64.5 112.754 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.402 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 86.6 m -72.38 -28.31 62.93 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 122.768 0.427 . . . . 74.33 111.289 175.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.558 ' HD3' ' HE1' ' A' ' 30' ' ' PHE . 56.2 mtm180 -64.61 -39.72 94.23 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.915 -0.491 . . . . 74.44 110.776 170.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.501 ' HA ' ' HG2' ' A' ' 62' ' ' ARG . 88.6 t80 -64.23 -38.66 91.84 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.924 -0.58 . . . . 73.24 110.676 172.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -64.35 -24.55 67.68 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 123.961 0.904 . . . . 63.51 111.276 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 57' ' ' THR . 17.8 mm-40 -81.83 -45.35 15.66 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.478 0.711 . . . . 70.0 112.348 176.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 59' ' ' TYR . 8.5 ptm180 -71.58 -28.3 63.74 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 122.091 -0.381 . . . . 63.23 111.989 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -107.08 45.66 0.97 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 124.268 1.027 . . . . 63.42 109.042 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.8 p -84.44 53.96 2.83 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.638 0.775 . . . . 45.5 112.02 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -160.84 123.93 3.31 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.884 1.274 . . . . 63.33 107.651 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.2 m 58.21 30.23 19.13 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 122.078 0.942 . . . . 65.52 110.306 -166.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -78.23 102.09 7.43 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.123 -1.399 . . . . 72.21 111.606 -167.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -159.02 174.01 15.59 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.926 0.89 . . . . 61.0 110.403 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 82.2 m -74.63 89.52 2.23 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 121.225 0.536 . . . . 64.43 110.769 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.1 mt -76.43 166.87 22.81 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 115.686 -0.688 . . . . 71.04 111.413 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -123.92 159.29 30.04 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.147 0.579 . . . . 64.53 112.194 -173.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -127.91 89.26 2.9 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.204 1.002 . . . . 73.31 108.946 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.36 102.05 2.52 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 116.103 -0.499 . . . . 53.45 110.658 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.9 m120 . . . . . 0 CA--C 1.565 1.526 0 C-N-CA 123.712 0.805 . . . . 74.41 110.567 -178.854 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 120.49 0.186 . . . . 63.34 111.441 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -137.24 110.6 7.91 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 108.227 -1.027 . . . . 72.13 108.227 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.0 mtt 71.46 151.28 0.14 Allowed Pre-proline 0 N--CA 1.497 1.878 0 C-N-CA 124.913 1.285 . . . . 75.31 110.598 -162.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.02 92.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.385 2.475 0 C-N-CA 122.709 2.273 . . . . 50.13 114.08 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -75.95 136.1 40.05 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.68 0.792 . . . . 74.32 111.589 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 m 58.22 38.44 26.2 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.145 0.978 . . . . 63.44 111.588 -175.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -62.2 95.35 0.06 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.971 0.909 . . . . 63.0 111.81 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.83 153.64 10.28 Favored Glycine 0 C--N 1.349 1.256 0 CA-C-N 116.172 -0.467 . . . . 71.2 112.902 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.4 mm -75.26 114.96 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.272 0 C-N-CA 123.18 0.592 . . . . 71.12 110.604 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.27 31.63 5.08 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 125.021 1.328 . . . . 75.01 112.133 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.81 68.41 9.92 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.18 0.592 . . . . 62.15 111.494 176.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -165.38 129.35 2.33 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.786 0.835 . . . . 74.34 110.915 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 53' ' ' TRP . 55.9 mttp -108.94 130.6 55.46 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.64 0.776 . . . . 74.21 110.323 173.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.7 p -81.98 162.92 22.48 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 122.631 0.372 . . . . 60.12 110.466 174.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.69 -30.75 70.12 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.14 0.576 . . . . 62.11 111.494 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.53 -49.77 61.79 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.032 0.933 . . . . 70.23 110.406 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -63.72 -40.67 97.33 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.706 0.803 . . . . 74.33 111.915 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.37 -37.77 86.04 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.504 1.122 . . . . 71.43 110.954 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.59 84.2 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.276 0.63 . . . . 75.42 112.345 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -62.04 -41.43 98.11 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.321 0.582 . . . . 73.22 110.841 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.68 -34.59 75.94 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 115.11 -0.95 . . . . 74.34 111.433 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -67.8 -43.82 78.8 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.343 0.657 . . . . 71.2 112.232 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.15 -38.58 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 122.617 0.367 . . . . 75.32 110.786 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.9 t -65.12 -35.98 82.82 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.113 0.565 . . . . 72.1 111.414 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -68.42 -41.13 80.82 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.53 0.732 . . . . 73.13 111.666 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.1 -37.67 83.59 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.437 0.695 . . . . 71.13 111.707 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -74.68 -41.59 59.98 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.888 0.475 . . . . 75.22 111.771 175.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -159.65 126.83 4.62 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 122.673 0.389 . . . . 72.22 111.339 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -73.64 -19.54 60.82 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.28 0.632 . . . . 74.12 112.289 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -117.59 80.89 13.86 Favored Pre-proline 0 CA--C 1.558 1.279 0 C-N-CA 123.872 0.869 . . . . 73.42 110.793 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.94 131.99 20.62 Favored 'Trans proline' 0 C--N 1.374 1.919 0 C-N-CA 122.096 1.864 . . . . 53.12 111.545 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -70.99 142.46 50.97 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.968 0.507 . . . . 73.35 110.496 177.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.22 -27.11 43.83 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.996 1.11 . . . . 75.21 113.996 -174.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.3 p -65.58 -48.71 71.43 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.473 0.709 . . . . 72.01 111.318 171.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 38' ' ' ARG . 43.4 tt0 -67.52 -26.03 66.13 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.098 0.959 . . . . 72.15 111.971 175.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.627 HD13 ' HG2' ' A' ' 51' ' ' LYS . 93.1 mt -69.71 -33.98 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 122.81 0.444 . . . . 72.54 110.518 175.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.12 -35.21 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 122.513 0.325 . . . . 63.53 110.501 171.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.428 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 56.3 ttt85 -59.28 -50.98 71.9 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 122.725 0.41 . . . . 65.01 110.462 170.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.32 -25.53 68.08 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.496 0.718 . . . . 75.34 112.383 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 86.5 mtp -70.57 -32.95 70.55 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.042 0.537 . . . . 61.2 110.906 174.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -81.04 -24.35 37.94 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.274 0.629 . . . . 71.31 112.029 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.0 mm -83.75 -57.6 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 123.385 0.674 . . . . 71.31 111.095 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.8 p -80.77 -34.07 34.48 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 112.514 0.561 . . . . 72.52 112.514 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.91 12.87 78.97 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 116.869 -0.151 . . . . 73.24 113.364 -174.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.7 mt -88.92 164.24 15.23 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.558 0.743 . . . . 73.55 110.515 173.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.5 p -79.01 161.87 26.32 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.643 0.377 . . . . 62.0 111.111 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -55.47 -41.72 73.36 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.231 0.612 . . . . 74.12 111.18 172.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.91 -37.64 94.94 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 116.057 -0.52 . . . . 53.24 113.743 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -71.92 -44.15 64.12 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 117.167 0.484 . . . . 72.12 111.701 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.3 mt -65.1 -52.27 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 123.27 0.628 . . . . 71.11 111.792 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.627 ' HG2' HD13 ' A' ' 36' ' ' ILE . 35.8 mtpt -62.12 -42.51 99.31 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 112.22 0.452 . . . . 62.23 112.22 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -66.49 -31.89 72.91 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 123.076 0.55 . . . . 71.31 110.956 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.428 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 76.7 t90 -62.57 -49.88 73.51 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.949 0.5 . . . . 74.51 110.138 172.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -64.55 -34.63 78.68 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.334 0.654 . . . . 72.45 111.586 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.0 m -67.58 -39.68 84.87 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.323 0.649 . . . . 74.54 111.103 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -66.26 -47.26 74.28 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.833 0.453 . . . . 73.54 110.73 175.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.2 m -63.75 -33.01 74.71 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 123.561 0.744 . . . . 73.3 111.171 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -72.72 -36.15 67.72 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 123.588 0.755 . . . . 72.34 111.786 170.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -60.23 -44.86 94.86 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 123.441 0.697 . . . . 75.01 110.977 173.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -59.32 -32.16 69.82 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.129 0.572 . . . . 73.31 111.582 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -60.05 -36.95 78.43 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.42 0.688 . . . . 74.5 112.259 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -62.11 -52.07 65.37 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.184 0.594 . . . . 75.34 111.109 176.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -100.97 18.44 19.65 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 115.41 -0.814 . . . . 71.14 112.779 -172.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.5 t -74.75 82.32 2.1 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.206 0.527 . . . . 44.23 111.699 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.81 177.44 4.67 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.755 0.822 . . . . 53.15 110.046 174.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' A' ' 71' ' ' HIS . 45.5 t -59.17 -64.24 1.01 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.32 0.648 . . . . 72.25 111.661 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 55.79 -154.28 0.31 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.137 0.975 . . . . 62.44 110.665 -176.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -90.45 -42.14 11.04 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 121.8 -0.563 . . . . 74.31 110.883 169.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 90.2 m -141.91 90.56 2.28 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.402 0.681 . . . . 73.43 110.531 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.2 tp -154.8 -66.92 0.13 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 122.554 0.341 . . . . 73.35 111.077 177.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 66' ' ' SER . 86.4 t60 -78.59 91.2 4.57 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.503 -0.555 . . . . 60.34 109.503 171.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 tt -86.05 93.47 8.99 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 109.618 -0.512 . . . . 71.4 109.618 -176.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -94.17 154.57 17.51 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.678 0.791 . . . . 70.53 110.968 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 60.3 t30 . . . . . 0 N--CA 1.489 1.502 0 C-N-CA 123.523 0.729 . . . . 73.21 110.325 -176.621 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 119.95 -0.071 . . . . 64.3 111.166 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -158.53 16.06 0.2 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 112.525 0.565 . . . . 72.53 112.525 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 19.2 ptp -153.23 86.63 4.03 Favored Pre-proline 0 CA--C 1.568 1.66 0 C-N-CA 123.093 0.557 . . . . 60.44 111.512 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -89.41 -167.92 0.3 Allowed 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 123.022 2.481 . . . . 74.04 113.249 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -71.09 87.04 0.76 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 122.944 0.498 . . . . 74.42 109.813 170.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 t -117.41 -79.89 0.6 Allowed 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.121 0.568 . . . . 74.54 110.697 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 55.25 27.89 10.43 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.758 1.223 . . . . 74.42 113.287 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.42 -34.51 90.1 Favored Glycine 0 C--N 1.355 1.585 0 CA-C-N 116.323 -0.399 . . . . 65.02 112.552 174.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -103.28 104.42 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 N-CA-C 108.787 -0.819 . . . . 70.14 108.787 173.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -105.34 -2.12 24.3 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.521 0.728 . . . . 74.3 110.925 172.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.74 108.51 6.62 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.564 0.746 . . . . 52.13 110.986 177.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -85.28 10.27 12.99 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 124.159 0.984 . . . . 72.22 110.797 175.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -61.58 135.98 57.85 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.575 1.15 . . . . 72.22 110.858 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.1 p -68.71 154.2 42.38 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.475 0.31 . . . . 61.03 110.696 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.14 -25.87 65.83 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.881 0.472 . . . . 71.14 111.654 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -58.24 -50.69 72.68 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.45 1.1 . . . . 63.44 110.876 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 93.0 mt-30 -69.02 -50.41 48.96 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 114.618 -1.174 . . . . 74.13 110.944 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HG ' ' HE1' ' A' ' 53' ' ' TRP . 4.8 tt -59.12 -38.79 80.46 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 125.648 1.579 . . . . 71.24 111.719 -173.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.33 -38.7 78.32 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.41 0.684 . . . . 72.43 112.363 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -66.81 -34.14 77.16 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.042 0.449 . . . . 74.53 111.679 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.578 HD22 HG23 ' A' ' 50' ' ' ILE . 74.7 mt -66.07 -36.75 84.05 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.747 -0.66 . . . . 74.43 110.819 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 97.1 mttt -62.07 -38.08 87.44 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 123.153 0.581 . . . . 63.12 112.078 175.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.8 -42.63 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 123.066 0.546 . . . . 64.44 110.945 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.3 t -67.98 -38.09 82.29 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 115.707 -0.679 . . . . 71.15 111.584 175.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -64.03 -38.76 92.26 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.511 0.724 . . . . 75.31 111.933 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 98.1 mt -62.18 -27.36 68.91 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.48 0.712 . . . . 71.34 111.575 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -80.09 -50.57 10.15 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-O 121.349 0.595 . . . . 74.24 110.05 172.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -166.46 135.74 3.06 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 114.733 -1.122 . . . . 43.44 111.639 -170.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' NE2' ' HB2' ' A' ' 58' ' ' ARG . 64.2 tt0 -73.24 -31.88 64.39 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 121.884 0.85 . . . . 70.32 110.191 172.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -117.07 87.47 23.08 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.197 0.999 . . . . 71.41 108.804 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -70.59 178.09 5.45 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 122.859 2.373 . . . . 74.4 113.278 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -62.68 -79.35 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.793 0.837 . . . . 65.2 111.196 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -179.73 -52.15 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.579 1.152 . . . . 74.42 108.155 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.1 p -58.74 -40.72 84.62 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.701 1.201 . . . . 51.12 112.806 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.26 -41.0 83.32 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.4 0.68 . . . . 71.12 111.156 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.444 HG21 ' HG3' ' A' ' 47' ' ' LYS . 33.8 mt -70.85 -37.94 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 123.399 0.68 . . . . 75.12 111.099 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.5 mt -62.5 -41.52 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 C-N-CA 123.424 0.69 . . . . 71.52 110.967 175.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -58.39 -46.73 85.82 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.001 0.92 . . . . 70.44 110.761 173.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.4 -37.99 82.58 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.501 0.72 . . . . 71.24 111.744 175.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 49.4 mtm -59.83 -42.11 92.83 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-O 121.07 0.462 . . . . 70.43 111.515 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.03 -36.84 67.02 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 115.42 -0.809 . . . . 72.33 112.23 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 48.6 mm -74.2 -57.1 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 C-N-CA 123.122 0.569 . . . . 64.0 111.41 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.0 p -76.91 -43.66 34.7 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.576 0.75 . . . . 71.45 112.422 -173.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.11 -2.9 37.94 Favored Glycine 0 N--CA 1.481 1.695 0 CA-C-N 116.446 -0.343 . . . . 73.12 113.163 -174.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.4 mt -80.9 162.29 24.0 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.943 0.897 . . . . 42.45 111.395 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.6 p -88.95 160.74 17.0 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 122.65 0.38 . . . . 74.24 110.549 173.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HG3' HG21 ' A' ' 36' ' ' ILE . 38.0 ttmt -55.99 -39.7 72.23 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.763 0.825 . . . . 73.51 111.461 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.61 -43.4 98.99 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 115.836 -0.62 . . . . 65.24 113.664 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.45 -39.28 91.86 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 123.694 0.798 . . . . 72.45 112.567 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.578 HG23 HD22 ' A' ' 21' ' ' LEU . 92.7 mt -67.85 -47.91 77.51 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.07 0 C-N-CA 123.708 0.803 . . . . 74.13 111.192 -178.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.525 ' HA ' ' HD2' ' A' ' 54' ' ' PHE . 7.3 mtpm? -70.27 -29.04 65.71 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.108 0.563 . . . . 73.24 111.699 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -63.89 -43.49 95.84 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.774 0.83 . . . . 62.35 110.665 171.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.406 ' HE1' ' HG ' ' A' ' 18' ' ' LEU . 89.5 t90 -61.36 -43.79 98.28 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 114.795 -1.093 . . . . 71.24 111.643 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.525 ' HD2' ' HA ' ' A' ' 51' ' ' LYS . 39.0 m-85 -55.34 -34.73 64.49 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 123.509 0.724 . . . . 62.45 112.781 -178.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.3 m -61.88 -48.34 80.94 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.688 0.795 . . . . 63.1 111.806 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -71.34 -29.21 64.72 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.316 0.646 . . . . 75.42 112.007 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.3 m -67.73 -31.71 71.82 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 113.1 0.778 . . . . 73.11 113.1 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.404 ' HB2' ' NE2' ' A' ' 29' ' ' GLN . 19.0 ttt180 -65.43 -36.71 84.73 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 118.649 0.658 . . . . 74.13 111.214 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -59.8 -55.83 29.4 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.568 0.747 . . . . 75.11 110.136 168.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -56.47 -30.84 63.4 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.823 1.249 . . . . 65.34 113.0 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -69.63 -54.15 15.31 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.47 1.108 . . . . 43.32 111.56 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -88.31 -9.59 52.32 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 122.962 0.505 . . . . 74.24 112.303 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -121.19 81.94 1.86 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.884 0.874 . . . . 71.21 109.279 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.0 p -99.72 -38.2 8.79 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 115.2 -0.909 . . . . 43.21 110.248 172.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -142.78 116.6 9.3 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.094 1.358 . . . . 72.03 110.113 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.7 m -72.09 94.86 1.56 Allowed 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.001 0.429 . . . . 71.31 110.66 174.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -95.41 169.58 9.96 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.12 0.968 . . . . 74.5 111.812 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -76.85 116.37 17.46 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.028 0.531 . . . . 72.24 110.75 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.5 t 67.38 86.85 0.13 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 124.925 1.29 . . . . 75.11 112.834 178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.7 mp -73.84 158.21 34.95 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.421 0.689 . . . . 75.32 111.675 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -116.96 170.5 8.59 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.545 1.138 . . . . 70.21 110.23 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 50.6 tp -73.94 93.81 2.25 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.194 0.598 . . . . 74.54 110.654 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -103.8 145.16 30.5 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.694 0.798 . . . . 62.44 111.61 -177.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--O 1.257 1.497 0 N-CA-C 109.065 -0.717 . . . . 71.33 109.065 170.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.5 m . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.587 0.232 . . . . 70.03 111.183 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -151.82 148.32 27.69 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.238 0.615 . . . . 64.45 111.06 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.2 ttm -137.39 81.9 29.77 Favored Pre-proline 0 CA--C 1.558 1.283 0 C-N-CA 123.118 0.567 . . . . 75.4 109.755 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -94.8 121.14 0.31 Allowed 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 123.044 2.496 . . . . 73.05 113.148 175.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -84.89 32.19 0.53 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.478 -0.764 . . . . 74.01 111.738 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -58.64 123.73 17.32 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.022 1.329 . . . . 72.25 110.851 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.2 t80 62.41 90.06 0.08 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.59 1.156 . . . . 75.44 110.946 -167.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.15 36.71 0.03 OUTLIER Glycine 0 N--CA 1.476 1.303 0 N-CA-C 114.447 0.539 . . . . 71.22 114.447 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.4 mm -73.88 95.31 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-O 121.207 0.527 . . . . 74.23 109.852 174.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -156.09 -41.76 0.08 Allowed 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.138 0.975 . . . . 73.3 109.822 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -92.02 104.86 17.22 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.718 0.807 . . . . 55.43 109.217 170.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -74.61 160.48 30.79 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.312 0.645 . . . . 75.24 112.047 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.3 mttm 66.66 177.25 0.23 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 124.876 1.27 . . . . 74.34 111.705 -172.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.8 p -79.91 152.95 29.32 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.843 -0.536 . . . . 74.13 111.74 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -51.17 -47.58 62.12 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.516 1.126 . . . . 50.43 112.241 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -66.32 -45.97 78.46 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.225 0.61 . . . . 63.0 112.355 -174.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -60.33 -50.38 73.84 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 123.432 0.693 . . . . 53.42 112.094 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.76 -38.54 89.36 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.357 0.663 . . . . 61.4 110.451 -177.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.89 -42.87 89.72 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.485 0.714 . . . . 44.22 112.35 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -64.83 -33.19 75.4 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 111.91 0.337 . . . . 63.0 111.91 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.82 -38.74 80.08 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.052 0.541 . . . . 75.42 111.22 173.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -62.77 -45.08 94.34 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.291 0.636 . . . . 75.24 111.227 175.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.05 -41.93 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 123.424 0.69 . . . . 74.02 110.654 174.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -66.59 -27.97 68.14 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 116.042 -0.526 . . . . 71.15 112.108 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -72.96 -34.98 66.85 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.475 0.71 . . . . 74.44 110.776 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.56 -39.9 84.94 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.248 0.619 . . . . 62.21 110.77 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -65.71 -56.79 10.19 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.204 1.002 . . . . 70.4 111.614 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -153.01 125.37 8.12 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.211 1.005 . . . . 74.43 109.898 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -74.43 -20.41 60.05 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.62 0.768 . . . . 74.44 111.664 -172.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -136.18 81.58 37.82 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 123.629 0.771 . . . . 62.42 109.795 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.99 133.27 30.55 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.675 2.25 . . . . 74.24 111.787 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -68.73 -70.95 0.24 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.53 0.732 . . . . 64.23 111.606 -172.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.457 ' O ' HG12 ' A' ' 37' ' ' ILE . 1.1 p30 -159.32 -43.23 0.05 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.637 0.775 . . . . 73.12 111.522 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.4 t -58.52 -43.43 89.14 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 123.598 0.759 . . . . 72.25 112.571 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -65.24 -38.18 89.56 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 121.224 0.535 . . . . 75.13 110.551 175.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.526 HG21 ' HD2' ' A' ' 47' ' ' LYS . 54.2 mt -68.91 -31.43 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 C-N-CA 123.55 0.74 . . . . 74.42 111.402 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 33' ' ' ASP . 46.7 mm -57.81 -46.2 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 123.239 0.616 . . . . 74.45 110.161 175.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -56.99 -58.55 7.66 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.239 -0.891 . . . . 72.21 110.686 170.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.2 mt -55.53 -36.72 67.06 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.933 0.893 . . . . 71.13 113.071 -174.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 74.5 mtm -69.01 -40.68 78.54 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.873 0.469 . . . . 73.32 111.888 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -79.94 -25.93 40.26 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.771 0.428 . . . . 71.22 111.92 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.6 mm -81.74 -56.31 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 C-N-CA 123.534 0.733 . . . . 61.53 111.257 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.8 p -83.14 -38.79 21.92 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.806 0.443 . . . . 74.24 112.079 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.34 -22.68 28.52 Favored Glycine 0 N--CA 1.477 1.37 0 CA-C-N 116.127 -0.488 . . . . 41.13 112.572 -172.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.31 136.56 49.89 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.011 0.924 . . . . 74.03 111.581 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.6 p -82.94 177.54 8.58 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.941 1.089 . . . . 75.02 113.941 -170.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.526 ' HD2' HG21 ' A' ' 36' ' ' ILE . 24.4 tptm -54.86 -55.85 25.92 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.655 1.182 . . . . 74.2 112.604 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.13 -33.33 84.99 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-N 116.103 -0.498 . . . . 45.11 113.687 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -61.16 -47.61 85.38 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 124.133 0.973 . . . . 72.35 111.552 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 89.7 mt -68.83 -49.19 66.06 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 C-N-CA 124.175 0.99 . . . . 70.13 111.273 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt -55.9 -34.05 65.2 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 123.519 0.728 . . . . 64.23 112.476 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -65.03 -50.17 67.31 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.756 0.822 . . . . 75.41 110.25 174.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 87.6 t90 -57.42 -48.3 79.48 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.863 0.865 . . . . 75.31 112.632 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -61.81 -29.2 70.0 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.469 0.708 . . . . 75.34 112.779 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.4 m -66.48 -48.09 71.0 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 122.818 0.447 . . . . 63.52 111.279 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -71.97 -29.1 63.9 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.414 0.686 . . . . 73.41 112.046 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.0 m -73.61 -37.66 65.34 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.2 0.6 . . . . 64.33 111.036 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -58.63 -44.78 90.14 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.81 0.444 . . . . 73.24 110.779 170.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -58.43 -51.01 71.63 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.676 0.791 . . . . 72.24 111.774 174.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -65.09 -36.38 84.13 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.011 0.925 . . . . 63.3 111.631 -175.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -12.64 61.54 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.571 0.748 . . . . 64.03 111.443 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -129.55 18.63 5.77 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.399 0.68 . . . . 60.31 111.69 177.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -94.12 151.21 19.66 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.637 0.775 . . . . 64.33 110.256 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.9 m -75.62 6.32 4.96 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 113.852 1.056 . . . . 64.1 113.852 -175.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -87.73 92.47 9.12 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.082 0.553 . . . . 73.44 111.416 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.0 p -100.23 -34.11 10.15 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.789 0.836 . . . . 73.54 111.783 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -71.69 82.04 0.86 Allowed 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 123.631 0.772 . . . . 74.52 111.499 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.89 147.71 13.46 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.611 0.764 . . . . 72.02 109.476 -174.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 36.5 t 64.78 32.79 10.79 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.672 1.189 . . . . 65.44 112.701 175.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.42 -54.43 17.15 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.169 0.509 . . . . 62.45 110.063 173.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -107.7 118.18 36.06 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.516 0.726 . . . . 72.51 109.726 173.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.599 ' H ' HD23 ' A' ' 72' ' ' LEU . 2.4 pt? -108.74 -176.28 3.0 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.617 0.767 . . . . 65.02 110.781 177.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -70.35 92.91 0.82 Allowed 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 122.902 0.481 . . . . 43.24 110.087 173.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.57 1.72 0 C-N-CA 123.643 0.777 . . . . 54.43 110.058 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 120.323 0.106 . . . . 35.35 111.097 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -81.36 87.92 6.13 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.376 0.671 . . . . 72.22 109.957 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.7 mtp -78.17 117.98 69.4 Favored Pre-proline 0 N--CA 1.487 1.379 0 C-N-CA 123.445 0.698 . . . . 71.2 112.144 -175.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -85.26 3.23 7.41 Favored 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 122.92 2.413 . . . . 72.12 113.209 173.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -88.43 96.89 10.78 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.795 0.838 . . . . 64.31 111.67 -174.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 m -130.75 88.24 2.59 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 108.871 -0.788 . . . . 73.35 108.871 170.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -121.61 -53.18 2.0 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.68 0.792 . . . . 70.23 111.076 -176.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.35 25.12 57.17 Favored Glycine 0 N--CA 1.481 1.634 0 N-CA-C 114.501 0.561 . . . . 50.52 114.501 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.7 mt -75.19 96.5 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 123.517 0.727 . . . . 71.31 111.016 -175.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 64.17 89.75 0.09 Allowed 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 124.639 1.175 . . . . 72.34 112.495 170.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.05 109.06 18.56 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.49 0.716 . . . . 60.12 111.288 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -60.97 129.4 41.24 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 110.219 -0.289 . . . . 74.3 110.219 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -67.54 106.77 2.26 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.204 0.602 . . . . 74.14 111.928 -172.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.8 p -76.08 -175.82 3.25 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.13 0.972 . . . . 55.1 111.88 -177.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -56.39 -61.07 2.66 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 124.13 0.972 . . . . 74.25 113.031 -169.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -26.53 46.65 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 112.24 0.459 . . . . 71.32 112.24 -175.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -66.66 -47.35 72.79 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.392 0.677 . . . . 72.12 111.125 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.53 HD22 ' HE3' ' A' ' 22' ' ' LYS . 3.0 tt -63.12 -38.03 89.57 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.434 1.094 . . . . 65.11 109.917 175.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.57 -37.78 88.63 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.586 0.754 . . . . 71.32 112.451 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -69.49 -32.74 71.79 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.689 0.396 . . . . 72.34 112.04 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.99 -32.69 74.09 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.8 0.44 . . . . 73.43 110.976 173.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.53 ' HE3' HD22 ' A' ' 18' ' ' LEU . 99.0 mttt -64.22 -51.08 65.42 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.178 0.591 . . . . 71.01 110.998 174.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.9 t -59.24 -37.56 69.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 123.496 0.718 . . . . 73.5 110.821 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.9 t -69.26 -38.56 78.49 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.663 -0.699 . . . . 64.13 111.364 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CD1' ' HB3' ' A' ' 29' ' ' GLN . 89.3 t80 -61.89 -44.37 96.93 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 124.003 0.921 . . . . 64.5 111.406 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.27 -46.76 85.45 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.024 0.929 . . . . 61.33 112.486 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -79.95 -36.89 35.54 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.385 0.513 . . . . 73.33 112.385 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -164.85 100.44 0.78 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 122.971 0.509 . . . . 70.13 111.805 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 25' ' ' TYR . 5.8 pt20 -80.9 -3.14 50.36 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 112.707 0.632 . . . . 75.12 112.707 175.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -128.09 76.55 77.68 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 123.299 0.64 . . . . 73.24 110.989 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.65 149.64 21.1 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 122.562 2.175 . . . . 62.11 112.464 172.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -79.99 -71.32 0.46 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.278 0.631 . . . . 74.51 111.559 -173.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -155.4 -54.95 0.09 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.946 0.498 . . . . 75.21 109.917 -177.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.8 m -59.28 -46.12 89.39 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.886 0.874 . . . . 65.34 112.594 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.45 -30.76 71.79 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.665 0.786 . . . . 72.4 111.398 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.56 HG21 ' HG3' ' A' ' 47' ' ' LYS . 17.9 mt -72.64 -43.39 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.802 178.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.9 mt -65.39 -33.96 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 C-N-CA 123.113 0.565 . . . . 74.11 110.879 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' O ' HG12 ' A' ' 42' ' ' ILE . 21.5 tpt180 -52.55 -55.63 20.84 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.436 0.694 . . . . 73.14 109.923 167.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -56.43 -43.1 79.09 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.757 0.823 . . . . 62.11 112.145 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mtp -60.86 -38.1 84.42 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 123.629 0.772 . . . . 71.33 112.138 -177.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -86.19 -19.33 30.21 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 112.585 0.587 . . . . 74.22 112.585 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 38' ' ' ARG . 37.8 mm -78.4 -45.41 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 CA-C-O 121.544 0.688 . . . . 60.55 110.484 171.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.4 p -94.45 -55.26 3.22 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.038 0.935 . . . . 72.22 111.936 -170.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.65 22.87 6.17 Favored Glycine 0 N--CA 1.481 1.66 0 C-N-CA 123.091 0.377 . . . . 74.42 112.513 -172.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.8 mt -99.08 175.98 5.72 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 124.163 0.985 . . . . 62.31 111.886 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.6 p -102.1 155.55 18.12 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 116.031 -0.531 . . . . 73.12 110.771 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HG3' HG21 ' A' ' 36' ' ' ILE . 35.3 ttpt -58.92 -32.33 69.46 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.87 0.868 . . . . 75.32 112.701 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.51 -52.84 35.96 Favored Glycine 0 CA--C 1.54 1.628 0 CA-C-N 116.134 -0.484 . . . . 61.41 113.566 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.02 -33.78 75.0 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 123.622 0.769 . . . . 64.44 112.492 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.46 -46.02 84.26 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.178 0 C-N-CA 123.286 0.634 . . . . 72.22 111.357 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.75 -40.92 98.77 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 120.795 0.331 . . . . 74.43 111.753 175.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.5 -33.22 75.42 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.314 0.646 . . . . 75.31 111.595 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -64.28 -48.06 77.14 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 123.476 0.485 . . . . 74.5 110.334 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -60.53 -40.02 89.95 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.946 0.499 . . . . 70.23 111.56 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 t -64.35 -40.98 96.94 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.389 0.676 . . . . 74.45 111.791 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.21 -48.96 66.3 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.35 0.66 . . . . 52.42 111.013 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.5 m -59.14 -41.5 88.45 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.749 0.82 . . . . 41.34 111.104 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -52.31 -47.91 65.69 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.626 0.77 . . . . 72.04 111.863 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -57.13 -45.23 83.66 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.907 0.483 . . . . 75.45 111.457 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -75.34 -11.99 60.17 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 113.12 0.785 . . . . 73.01 113.12 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -91.93 -60.69 1.8 Allowed 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.283 0.633 . . . . 72.11 111.33 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -68.53 -27.84 66.46 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 112.341 0.496 . . . . 72.4 112.341 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -117.2 88.03 2.82 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 108.713 -0.847 . . . . 74.21 108.713 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 79.7 p -67.53 112.46 4.71 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.764 0.826 . . . . 70.33 112.319 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -86.85 -82.47 0.21 Allowed 'General case' 0 CA--C 1.56 1.342 0 C-N-CA 123.113 0.565 . . . . 74.45 109.971 172.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.5 p -178.32 -67.06 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.467 1.107 . . . . 55.43 109.778 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 59.05 103.44 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.523 1.529 . . . . 75.51 112.373 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -64.37 116.44 6.08 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.705 0.802 . . . . 72.34 110.653 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.7 p -66.1 154.34 39.88 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.13 0.572 . . . . 62.21 111.365 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.4 mp -83.2 43.33 0.87 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.286 0.635 . . . . 64.35 111.959 -173.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -64.38 106.46 1.12 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.915 0.886 . . . . 74.21 110.381 175.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.2 tp -129.61 116.6 19.12 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.29 1.036 . . . . 72.54 110.461 -174.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -85.68 125.23 33.02 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.578 -0.527 . . . . 64.23 109.578 171.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 . . . . . 0 CA--C 1.565 1.521 0 C-N-CA 123.062 0.545 . . . . 52.34 111.364 -176.442 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 120.852 0.358 . . . . 74.52 110.966 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -117.19 98.33 6.39 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.735 0.814 . . . . 70.12 109.869 175.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.1 ttt -140.34 109.15 6.81 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 123.153 0.581 . . . . 63.53 110.241 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -71.99 87.15 0.87 Allowed 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 122.698 2.265 . . . . 75.52 111.468 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -148.49 -76.45 0.17 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.106 0.562 . . . . 74.23 110.612 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m 68.52 -65.41 0.27 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.496 1.518 . . . . 63.24 113.592 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.6 t80 66.85 -78.97 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 125.214 1.405 . . . . 74.13 111.87 -176.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 154.82 150.28 5.5 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 122.92 0.295 . . . . 73.51 112.918 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 mp -84.95 96.79 4.97 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.227 0 C-N-CA 123.413 0.685 . . . . 62.42 109.238 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -85.64 -34.68 21.3 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.875 0.87 . . . . 75.23 111.181 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.43 87.48 5.06 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.464 0.705 . . . . 33.23 110.894 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -160.77 -42.59 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.727 0.811 . . . . 64.32 109.97 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HE2' ' HB2' ' A' ' 53' ' ' TRP . 39.5 mmtm -81.28 110.71 17.0 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 115.858 -0.61 . . . . 53.42 110.324 172.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.8 p -79.54 159.83 26.73 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 109.766 -0.457 . . . . 72.23 109.766 175.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -64.45 -36.28 83.65 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 112.655 0.613 . . . . 74.01 112.655 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.99 -35.84 64.47 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 112.551 0.574 . . . . 62.24 112.551 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -65.65 -47.35 75.86 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-O 121.197 0.522 . . . . 61.22 110.477 171.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.75 ' HG ' ' HE1' ' A' ' 53' ' ' TRP . 5.1 tt -56.83 -38.68 72.97 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.531 1.532 . . . . 73.45 110.881 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.27 -45.5 93.1 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.285 1.034 . . . . 65.22 112.697 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -67.17 -35.67 80.16 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.37 0.668 . . . . 74.53 112.036 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.532 HD22 HG23 ' A' ' 50' ' ' ILE . 56.8 mt -69.38 -34.96 75.32 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.402 -0.817 . . . . 70.45 111.245 176.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -58.85 -41.67 87.51 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 123.683 0.793 . . . . 62.01 111.4 174.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.3 t -55.65 -38.64 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 123.623 0.769 . . . . 65.1 111.599 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 t -72.46 -46.45 54.87 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.103 0.561 . . . . 41.15 111.629 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -59.78 -39.69 85.75 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.183 0.993 . . . . 74.33 112.395 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.42 -31.96 73.39 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.613 0.765 . . . . 73.12 112.013 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -75.41 -47.77 25.88 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.031 0.533 . . . . 71.2 110.245 171.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -171.83 142.12 1.48 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.759 0.823 . . . . 71.52 110.807 176.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.546 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 62.6 tt0 -65.94 -25.99 67.38 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.366 0.667 . . . . 64.45 111.704 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -117.19 80.36 11.96 Favored Pre-proline 0 CA--C 1.563 1.478 0 C-N-CA 123.685 0.794 . . . . 64.33 110.215 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -82.33 -175.65 2.6 Favored 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 122.759 2.306 . . . . 72.31 113.813 -172.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -60.81 154.25 22.4 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 123.082 0.553 . . . . 63.11 112.33 172.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.46 -48.41 81.24 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.585 0.754 . . . . 74.54 110.289 174.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.4 m -63.17 -28.85 70.33 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.109 -0.951 . . . . 65.34 112.501 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.16 -47.87 75.51 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.275 0.63 . . . . 72.12 111.193 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.488 HD13 ' HD3' ' A' ' 51' ' ' LYS . 25.0 mt -60.5 -40.42 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 123.317 0.647 . . . . 62.21 110.674 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.413 HG22 ' HE2' ' A' ' 41' ' ' LYS . 75.5 mt -64.45 -40.07 87.77 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.188 0 C-N-CA 123.665 0.786 . . . . 62.12 111.559 175.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -61.79 -42.03 98.48 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.537 0.735 . . . . 63.54 109.885 176.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.62 -34.6 78.6 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.539 0.736 . . . . 74.5 111.561 176.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.3 mtm -61.26 -38.34 86.35 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 120.998 0.428 . . . . 75.35 111.315 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HE2' HG22 ' A' ' 37' ' ' ILE . 67.0 mttm -72.1 -32.92 67.44 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.724 0.81 . . . . 74.44 112.479 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.0 mm -82.86 -60.56 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.219 0 C-N-CA 123.101 0.56 . . . . 71.41 111.304 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.2 p -70.83 -43.07 69.3 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.825 0.85 . . . . 73.24 112.432 -173.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.99 20.99 31.7 Favored Glycine 0 CA--C 1.536 1.402 0 CA-C-N 116.298 -0.41 . . . . 61.32 112.997 -171.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -101.4 163.47 12.25 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.16 0.984 . . . . 73.43 110.5 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -88.25 161.99 16.88 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.743 0.417 . . . . 50.02 111.408 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.6 -50.82 71.87 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.589 1.155 . . . . 65.32 112.619 -172.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.65 -32.38 81.26 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 115.611 -0.722 . . . . 52.33 113.846 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -64.99 -39.77 93.96 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.799 0.84 . . . . 70.3 111.056 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.532 HG23 HD22 ' A' ' 21' ' ' LEU . 94.1 mt -67.3 -42.44 87.67 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.094 0 CA-C-N 114.839 -1.073 . . . . 71.23 110.952 174.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HD3' HD13 ' A' ' 36' ' ' ILE . 4.5 mmmp? -61.34 -39.89 92.23 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.49 0.716 . . . . 44.5 112.361 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -65.37 -38.98 91.7 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.846 0.458 . . . . 75.12 111.099 175.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.75 ' HE1' ' HG ' ' A' ' 18' ' ' LEU . 91.3 t90 -54.21 -46.18 72.43 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.918 0.887 . . . . 73.45 112.333 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.546 ' HB3' ' HG3' ' A' ' 29' ' ' GLN . 69.5 m-85 -55.73 -35.12 65.8 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.4 0.68 . . . . 65.03 112.119 -179.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.4 t -70.53 -48.82 53.64 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.683 0.793 . . . . 60.14 111.945 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -65.45 -37.62 87.42 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.109 0.564 . . . . 74.45 111.803 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.1 m -65.82 -36.0 82.27 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.352 1.061 . . . . 75.25 112.632 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -61.11 -38.11 85.18 Favored 'General case' 0 CA--C 1.561 1.381 0 CA-C-O 121.185 0.517 . . . . 73.31 111.309 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -77.5 -35.56 53.45 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 124.043 0.937 . . . . 55.13 111.404 172.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -58.7 -48.65 80.41 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.906 0.882 . . . . 65.32 112.047 -176.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -64.52 -21.58 66.72 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 113.711 1.004 . . . . 74.24 113.711 -174.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.502 ' HG3' ' ND2' ' A' ' 63' ' ' ASN . 5.8 ptp180 -100.07 -5.9 27.24 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 112.19 0.441 . . . . 73.31 112.19 177.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.502 ' ND2' ' HG3' ' A' ' 62' ' ' ARG . 45.1 m-80 -134.5 26.8 3.75 Favored 'General case' 0 N--CA 1.497 1.922 0 C-N-CA 123.584 0.754 . . . . 75.15 111.403 176.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.9 t -74.57 92.28 2.38 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.288 0.635 . . . . 33.15 111.799 -175.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -94.55 73.34 3.74 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.87 0.843 . . . . 71.01 109.173 173.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 67.3 p -83.13 77.41 9.76 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.474 -0.785 . . . . 72.22 111.135 -176.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -120.56 105.61 10.98 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.63 -0.714 . . . . 61.2 109.667 174.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.35 -157.87 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.444 0.697 . . . . 74.33 111.408 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.74 82.02 0.44 Allowed 'General case' 0 CA--C 1.557 1.222 0 CA-C-O 121.631 0.729 . . . . 74.0 110.255 171.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.9 tt -68.05 -36.77 80.44 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.61 1.164 . . . . 74.2 111.822 -170.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -93.2 1.66 57.0 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.47 0.708 . . . . 72.41 111.802 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.2 tp -98.92 116.82 32.02 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.535 0.734 . . . . 62.42 111.28 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -94.83 92.8 7.12 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.234 1.014 . . . . 73.33 111.084 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 m120 . . . . . 0 N--CA 1.492 1.67 0 C-N-CA 123.429 0.691 . . . . 72.11 110.984 176.037 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 120.541 0.21 . . . . 54.13 111.085 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -76.5 88.66 3.24 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.353 0.661 . . . . 73.21 111.81 -176.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.1 mtp -133.33 107.15 12.18 Favored Pre-proline 0 N--CA 1.484 1.242 0 C-N-CA 124.221 1.008 . . . . 70.34 109.817 174.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -83.1 13.54 2.62 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.883 2.389 . . . . 74.22 113.386 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.74 142.44 57.39 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 124.432 1.093 . . . . 75.14 112.696 -176.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -140.04 -163.46 1.51 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 124.803 1.241 . . . . 75.25 108.513 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -65.74 87.78 0.09 Allowed 'General case' 0 CA--C 1.561 1.377 0 N-CA-C 109.293 -0.632 . . . . 72.4 109.293 171.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.66 -22.42 26.28 Favored Glycine 0 N--CA 1.476 1.313 0 CA-C-N 115.734 -0.666 . . . . 53.14 114.113 -174.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.89 122.14 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 123.524 0.729 . . . . 74.32 110.05 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.768 ' HA ' ' HD3' ' A' ' 15' ' ' LYS . 31.7 ttt180 -77.79 -41.47 37.23 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.809 0.844 . . . . 73.41 111.097 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.79 -159.85 0.3 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.726 1.211 . . . . 44.45 111.522 -177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -80.48 173.02 13.02 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 122.191 -0.318 . . . . 52.34 110.63 169.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? 57.92 -171.77 0.1 Allowed 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.241 1.016 . . . . 73.0 111.059 -162.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 p -102.29 163.37 12.27 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.118 -0.989 . . . . 53.44 109.75 169.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.768 ' HD3' ' HA ' ' A' ' 10' ' ' ARG . 2.4 mmmp? -64.89 -34.28 78.03 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.149 0.58 . . . . 50.31 111.422 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.31 -49.09 77.01 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.468 1.107 . . . . 74.13 111.119 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.433 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 97.1 mt-30 -66.15 -48.39 70.93 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 115.253 -0.885 . . . . 75.53 111.829 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.21 -36.86 78.63 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.991 1.316 . . . . 74.23 110.941 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.78 95.31 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.607 0.763 . . . . 63.33 112.277 177.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -67.05 -36.44 82.07 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.338 0.655 . . . . 54.5 111.776 176.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 17' ' ' GLN . 85.3 mt -64.54 -37.79 88.78 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 115.843 -0.617 . . . . 74.0 110.79 175.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.487 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 88.2 mttt -64.33 -37.52 87.8 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.947 -0.57 . . . . 74.01 112.022 174.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.8 t -58.98 -44.33 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 CA-C-N 118.177 0.444 . . . . 54.23 110.993 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 t -61.75 -41.51 97.76 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 115.849 -0.614 . . . . 73.54 111.508 174.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -64.3 -34.17 77.51 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 124.121 0.968 . . . . 70.32 111.728 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 95.3 mt -71.11 -31.22 67.51 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 124.257 1.023 . . . . 64.03 111.704 177.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -69.96 -55.9 8.42 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.438 0.637 . . . . 61.41 110.021 172.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -163.89 138.7 5.97 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.487 1.115 . . . . 70.42 109.157 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -76.72 -6.92 54.18 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 112.715 0.635 . . . . 63.52 112.715 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -126.94 78.68 73.69 Favored Pre-proline 0 CA--C 1.563 1.461 0 C-N-CA 123.868 0.867 . . . . 64.31 110.458 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -76.47 156.27 36.51 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.567 2.178 . . . . 73.43 113.063 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -79.32 153.69 29.63 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.455 0.702 . . . . 72.51 110.603 176.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.97 -29.44 60.22 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 112.846 0.684 . . . . 74.33 112.846 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 p -62.97 -47.91 81.14 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.578 0.751 . . . . 44.11 111.355 173.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.98 -33.58 76.37 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.657 0.783 . . . . 72.43 111.213 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.404 ' O ' ' HG3' ' A' ' 40' ' ' MET . 92.2 mt -67.08 -43.58 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 123.298 0.639 . . . . 71.52 111.003 176.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.6 mt -62.33 -36.88 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 C-N-CA 123.2 0.6 . . . . 64.21 111.33 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -53.98 -55.2 29.34 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.159 0.584 . . . . 73.12 109.95 171.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.98 -36.98 80.85 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.044 0.937 . . . . 74.45 112.099 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 84.4 mtp -58.54 -41.7 86.15 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.037 0.935 . . . . 73.21 111.699 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -78.25 -32.37 49.61 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.084 0.553 . . . . 71.44 112.026 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.8 mm -72.89 -38.89 57.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 C-N-CA 123.068 0.547 . . . . 75.13 111.487 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.433 ' HB ' ' HG2' ' A' ' 17' ' ' GLN . 72.3 p -96.26 -53.24 3.69 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.706 0.802 . . . . 55.31 111.536 -173.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.27 -4.97 17.83 Favored Glycine 0 N--CA 1.481 1.684 0 CA-C-N 116.207 -0.451 . . . . 72.25 112.604 -171.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.77 164.2 23.85 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.507 1.123 . . . . 70.34 112.317 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.7 p -95.62 174.44 6.99 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.509 0.723 . . . . 74.41 110.634 173.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -60.16 -35.2 74.81 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.441 0.296 . . . . 70.34 111.384 170.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.72 -50.54 66.41 Favored Glycine 0 C--N 1.351 1.372 0 O-C-N 123.416 0.447 . . . . 54.12 112.635 175.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -55.33 -44.38 75.81 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.917 0.887 . . . . 75.51 112.483 177.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.45 -45.09 47.01 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.292 0 C-N-CA 123.45 0.7 . . . . 72.01 111.799 -175.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -60.31 -44.32 95.55 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 123.651 0.781 . . . . 61.22 112.018 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -67.58 -32.94 74.04 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.012 0.525 . . . . 73.41 111.361 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -63.83 -50.56 68.43 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 122.908 0.13 . . . . 72.02 110.671 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -63.27 -31.99 73.28 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.308 0.643 . . . . 73.42 111.498 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.7 t -59.72 -51.01 71.61 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.367 0.667 . . . . 55.42 111.392 175.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -75.06 -30.37 60.97 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 112.762 0.652 . . . . 72.42 112.762 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.6 m -72.37 -44.4 62.61 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.137 0.575 . . . . 75.42 111.705 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -59.23 -34.8 72.63 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 120.546 0.212 . . . . 72.13 111.122 175.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -69.66 -55.86 8.86 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.676 0.791 . . . . 73.34 111.954 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.69 -42.41 98.01 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.109 0.964 . . . . 61.32 112.281 -172.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -68.61 -18.78 64.38 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.053 0.941 . . . . 74.32 113.134 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -106.85 -21.37 13.05 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 118.31 0.505 . . . . 73.43 112.081 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -92.61 98.91 11.73 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.82 0.848 . . . . 75.12 109.28 176.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.9 p -69.6 92.26 0.63 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.301 0.572 . . . . 64.31 111.042 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -75.24 -26.15 58.66 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.352 0.661 . . . . 43.41 110.991 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.7 m -64.2 113.5 3.6 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.705 0.802 . . . . 41.53 110.915 176.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 59.7 t30 60.47 76.93 0.34 Allowed 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 124.66 1.184 . . . . 72.42 111.293 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -74.44 -63.96 1.13 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.19 0.596 . . . . 73.02 110.599 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 96.0 m -151.6 160.47 43.64 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.461 0.704 . . . . 74.33 111.327 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.74 -42.78 81.32 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.453 0.701 . . . . 74.11 110.564 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 66.3 18.34 10.89 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.607 1.163 . . . . 72.44 112.658 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.7 tt -77.17 128.07 33.75 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.13 0.972 . . . . 72.42 109.369 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 69.05 5.55 5.14 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.589 1.156 . . . . 75.42 111.878 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 N--CA 1.487 1.397 0 C-N-CA 123.608 0.763 . . . . 75.22 110.435 179.776 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.589 0.233 . . . . 63.31 110.729 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -79.33 -53.73 6.64 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.761 0.824 . . . . 75.43 111.045 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.9 mtt -127.26 140.62 38.4 Favored Pre-proline 0 N--CA 1.492 1.634 0 C-N-CA 124.014 0.926 . . . . 61.21 110.173 176.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.47 106.69 1.47 Allowed 'Trans proline' 0 C--N 1.383 2.385 0 C-N-CA 122.925 2.416 . . . . 73.22 112.242 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -61.36 129.65 42.26 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.379 0.672 . . . . 75.2 112.507 -174.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -145.29 124.74 13.11 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.137 0.975 . . . . 73.24 110.276 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -158.34 142.25 15.54 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.66 0.784 . . . . 74.11 110.332 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.11 140.52 5.5 Favored Glycine 0 C--N 1.353 1.487 0 CA-C-N 116.612 -0.267 . . . . 74.11 112.951 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -98.6 138.74 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 123.957 0.903 . . . . 73.25 109.058 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -138.62 -55.19 0.62 Allowed 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 122.804 0.441 . . . . 74.02 110.368 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.96 41.33 0.75 Allowed 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.206 0.527 . . . . 73.41 111.742 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -117.96 128.8 55.15 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.712 0.805 . . . . 73.32 111.414 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HE2' ' HB2' ' A' ' 53' ' ' TRP . 53.4 mttp -75.43 105.73 6.61 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.323 0.649 . . . . 75.24 110.081 175.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.4 p -70.99 163.29 27.86 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 122.298 0.239 . . . . 73.34 111.17 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -52.15 -42.37 63.32 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 113.379 0.881 . . . . 71.22 113.379 -175.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.17 -33.05 56.56 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.422 0.689 . . . . 74.03 112.534 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -68.48 -49.11 62.19 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.494 0.664 . . . . 51.14 110.388 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.67 -30.76 71.62 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 124.656 1.183 . . . . 71.03 111.17 176.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.91 91.83 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.585 0.754 . . . . 73.44 112.209 178.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' HB2' HG22 ' A' ' 43' ' ' THR . 73.2 mm-40 -61.71 -36.64 81.52 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.038 0.535 . . . . 55.23 111.576 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.57 HD22 HG23 ' A' ' 50' ' ' ILE . 56.5 mt -68.16 -37.15 80.7 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 115.734 -0.666 . . . . 52.51 111.205 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 14.2 mmtm -65.89 -44.9 83.93 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.66 0.784 . . . . 74.43 111.241 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.31 -40.64 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 C-N-CA 123.309 0.644 . . . . 73.25 110.614 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 t -63.16 -38.49 91.39 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.415 0.686 . . . . 63.42 111.527 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -68.24 -39.72 82.22 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.016 0.926 . . . . 74.43 111.772 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 96.0 mt -63.81 -32.25 73.7 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.908 0.883 . . . . 53.34 111.776 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -81.54 -53.87 5.9 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.323 0.649 . . . . 75.33 111.279 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.67 124.14 16.88 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 123.784 0.834 . . . . 63.23 111.786 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -82.36 -11.27 58.69 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.025 0.53 . . . . 71.15 111.401 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -124.59 71.21 57.95 Favored Pre-proline 0 CA--C 1.569 1.689 0 C-N-CA 124.362 1.065 . . . . 65.52 110.422 175.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HB3' ' HG2' ' A' ' 35' ' ' GLU . 15.2 Cg_exo -73.15 142.28 33.9 Favored 'Trans proline' 0 C--N 1.384 2.434 0 C-N-CA 122.84 2.36 . . . . 72.44 112.819 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.401 ' O ' HG12 ' A' ' 36' ' ' ILE . 32.5 m80 -72.38 165.65 24.11 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.74 0.816 . . . . 73.52 111.979 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -60.26 -36.42 77.76 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.25 0.62 . . . . 71.13 112.088 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.7 m -63.61 -38.82 92.58 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.785 0.834 . . . . 61.35 111.961 176.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.466 ' HG2' ' HB3' ' A' ' 31' ' ' PRO . 10.1 tp10 -60.74 -40.07 91.05 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.629 0.772 . . . . 73.33 111.055 174.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 50' ' ' ILE . 27.9 mm -67.53 -36.85 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 122.825 0.45 . . . . 72.13 111.546 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -55.51 -47.16 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 CA-C-O 121.511 0.672 . . . . 74.15 110.416 174.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -60.36 -49.0 79.34 Favored 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.624 -1.171 . . . . 72.01 111.333 174.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.68 -32.78 72.98 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.499 0.719 . . . . 72.03 112.585 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 69.5 mtm -66.04 -35.33 80.26 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 118.248 0.476 . . . . 70.41 111.33 177.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.69 -32.79 66.04 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.554 0.742 . . . . 75.05 112.267 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 31.4 mm -84.04 -46.64 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.412 0 CA-C-O 120.96 0.409 . . . . 73.44 111.165 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.464 HG22 ' HB2' ' A' ' 20' ' ' GLU . 51.4 p -79.38 -54.91 5.47 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.43 0.692 . . . . 74.15 111.529 -176.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.43 -4.52 29.68 Favored Glycine 0 N--CA 1.48 1.587 0 CA-C-N 116.215 -0.448 . . . . 65.32 112.72 -171.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.2 mt -83.34 175.02 10.18 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.41 1.084 . . . . 73.32 111.487 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.6 p -98.55 167.04 11.06 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.701 0.63 . . . . 63.22 112.701 -174.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' N ' ' SD ' ' A' ' 40' ' ' MET . 23.9 tptm -54.52 -44.69 72.99 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.428 1.091 . . . . 74.41 111.372 175.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.96 -52.39 42.35 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.188 -0.915 . . . . 71.23 113.201 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.09 -46.82 75.53 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 124.141 0.976 . . . . 74.33 113.135 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.57 HG23 HD22 ' A' ' 21' ' ' LEU . 75.5 mt -70.37 -50.8 43.39 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.284 0 C-N-CA 122.79 0.436 . . . . 73.24 112.0 -174.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HE2' HG13 ' A' ' 36' ' ' ILE . 54.7 mmtt -56.28 -38.31 71.02 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 123.153 0.581 . . . . 73.15 111.788 173.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -65.13 -40.4 94.4 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.225 1.01 . . . . 73.01 110.89 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.476 ' HB2' ' HE2' ' A' ' 13' ' ' LYS . 92.2 t90 -61.48 -45.31 94.79 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.952 0.901 . . . . 63.12 112.044 -176.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -61.02 -31.23 70.86 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.541 0.336 . . . . 71.14 111.372 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 m -67.48 -44.61 78.11 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.996 0.519 . . . . 71.04 110.86 172.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -63.8 -37.34 87.01 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.489 0.716 . . . . 65.44 111.905 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 60.2 m -77.35 -36.49 53.67 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.392 0.677 . . . . 64.33 111.432 -176.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -67.65 -33.86 75.8 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 123.211 0.604 . . . . 74.22 111.854 173.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -65.54 -50.54 64.83 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.52 0.728 . . . . 73.21 110.837 172.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -65.0 -32.75 74.63 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 114.874 -1.057 . . . . 62.45 110.975 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -67.08 -43.51 82.4 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.763 0.825 . . . . 74.2 110.466 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -58.33 -38.72 77.71 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 123.288 0.635 . . . . 75.4 111.383 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -74.81 99.09 3.66 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 116.281 -0.418 . . . . 71.14 110.108 173.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.2 p -66.63 138.81 57.71 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.439 0.695 . . . . 74.14 111.09 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -78.91 92.57 4.92 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.418 0.628 . . . . 73.43 110.712 -171.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.6 m -91.0 23.25 3.28 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.051 0.94 . . . . 72.34 112.179 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 57.13 79.46 0.19 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.663 1.185 . . . . 71.31 110.951 -172.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -136.97 164.02 29.34 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.304 1.041 . . . . 71.25 111.27 -173.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.6 t -75.6 127.03 32.18 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.325 0.65 . . . . 72.14 111.279 176.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.9 tt -82.39 95.52 7.67 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 108.894 -0.78 . . . . 60.1 108.894 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -149.22 83.05 1.43 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.115 0.566 . . . . 70.13 109.699 -176.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 mp -89.34 103.54 16.17 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.591 0.756 . . . . 72.21 111.507 -175.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -86.12 167.74 14.68 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.504 0.722 . . . . 72.1 110.959 173.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 CA--C 1.568 1.645 0 CA-C-O 118.442 -0.789 . . . . 60.45 111.05 176.169 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.428 0.156 . . . . 74.42 110.61 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -77.65 138.81 39.3 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.86 0.464 . . . . 72.52 110.253 174.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 61.8 mtt 56.24 67.92 2.55 Favored Pre-proline 0 CA--C 1.574 1.871 0 C-N-CA 124.215 1.006 . . . . 72.41 111.818 -169.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -82.15 87.64 1.39 Allowed 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.78 2.32 . . . . 63.51 112.858 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -75.53 -29.18 59.35 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 115.616 -0.72 . . . . 53.2 112.322 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 m -75.08 113.69 12.71 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.297 0.639 . . . . 74.14 110.672 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -100.02 -166.69 1.36 Allowed 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 123.562 0.745 . . . . 74.42 111.154 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.65 42.21 0.02 OUTLIER Glycine 0 N--CA 1.477 1.43 0 CA-C-O 121.058 0.255 . . . . 54.31 112.742 176.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.0 mm -80.6 82.66 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-O 121.439 0.638 . . . . 63.34 110.853 -176.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -123.48 0.39 8.83 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.974 0.91 . . . . 75.01 110.972 172.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -151.07 161.63 42.37 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.507 1.123 . . . . 64.41 110.098 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -127.28 109.89 12.27 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 121.23 0.538 . . . . 74.44 111.163 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -135.84 137.42 41.48 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.417 1.487 . . . . 54.53 108.744 170.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 p -69.71 145.39 52.35 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 109.029 -0.73 . . . . 74.21 109.029 175.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -58.95 -29.82 67.42 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.417 0.525 . . . . 64.43 112.417 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.78 -49.48 68.18 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.264 0.626 . . . . 74.55 111.547 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.32 -50.04 74.55 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.33 0.652 . . . . 64.04 111.072 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.82 -35.91 81.46 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.962 1.305 . . . . 75.14 111.041 -176.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.454 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -65.39 -45.06 85.51 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.399 0.68 . . . . 72.44 111.785 178.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -62.78 -37.11 85.38 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.802 0.441 . . . . 62.01 111.742 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.483 HD22 HG23 ' A' ' 50' ' ' ILE . 84.3 mt -64.49 -40.02 94.89 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 116.043 -0.526 . . . . 71.54 110.834 174.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -62.17 -41.33 98.21 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.411 0.685 . . . . 63.04 111.808 174.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 19' ' ' ALA . 77.3 t -56.72 -40.88 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 C-N-CA 123.462 0.705 . . . . 73.23 111.627 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.8 t -74.68 -38.7 62.33 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.087 0.555 . . . . 65.42 111.434 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -63.07 -43.72 97.8 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.018 0.927 . . . . 71.12 112.478 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.04 -25.25 66.96 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.699 0.8 . . . . 64.43 112.363 -176.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -87.38 -38.36 16.25 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.95 0.5 . . . . 73.1 111.078 174.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' A' ' 31' ' ' PRO . 60.8 t30 -155.99 110.45 2.85 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 123.615 0.766 . . . . 72.41 109.628 -175.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -71.24 -32.71 69.1 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.778 0.831 . . . . 55.33 111.562 -169.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -120.38 87.01 39.86 Favored Pre-proline 0 CA--C 1.553 1.071 0 N-CA-C 108.253 -1.017 . . . . 74.21 108.253 172.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.468 ' HA ' ' ND2' ' A' ' 28' ' ' ASN . 41.4 Cg_endo -87.23 175.4 4.81 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.808 2.339 . . . . 74.35 114.242 -174.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -77.66 161.46 27.77 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-N 115.171 -0.922 . . . . 74.11 111.909 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.06 -29.85 69.98 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.013 0.525 . . . . 72.25 110.965 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.3 p -61.3 -45.23 95.32 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.155 0.982 . . . . 74.23 111.704 174.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -57.7 -48.48 79.45 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 121.351 0.596 . . . . 55.53 110.405 173.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.55 HD13 ' HG2' ' A' ' 51' ' ' LYS . 88.6 mt -65.18 -30.4 50.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 CA-C-N 114.429 -1.26 . . . . 73.2 111.932 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.413 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 78.7 mt -67.5 -48.68 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 122.703 0.401 . . . . 74.33 110.38 171.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -53.28 -41.63 65.76 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 123.558 0.743 . . . . 71.35 110.927 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 36' ' ' ILE . 36.7 mt -66.51 -41.26 89.1 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.24 -0.891 . . . . 74.0 110.974 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.516 ' SD ' ' HB2' ' A' ' 47' ' ' LYS . 84.0 mtp -60.17 -35.69 75.91 Favored 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 123.128 0.571 . . . . 74.43 111.699 173.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 37' ' ' ILE . 29.7 mmmt -67.03 -46.75 73.49 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.668 0.787 . . . . 74.32 111.953 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.4 mm -84.2 -48.19 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.09 0.556 . . . . 74.13 112.033 -173.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.5 p -73.62 -35.99 65.41 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.106 0.562 . . . . 74.52 111.894 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.6 18.25 71.23 Favored Glycine 0 CA--C 1.538 1.476 0 CA-C-N 116.384 -0.371 . . . . 70.51 113.243 -173.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.6 mt -89.22 170.6 10.46 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.032 0.933 . . . . 75.51 111.536 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 p -89.79 152.73 21.15 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.534 -0.757 . . . . 64.12 109.993 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.516 ' HB2' ' SD ' ' A' ' 40' ' ' MET . 36.7 ttmt -58.36 -33.57 69.7 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 123.763 0.825 . . . . 70.32 112.486 -178.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.19 -45.54 93.38 Favored Glycine 0 CA--C 1.535 1.317 0 CA-C-N 116.261 -0.427 . . . . 64.42 114.044 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.0 -46.39 90.98 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.497 0.719 . . . . 63.35 111.233 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.483 HG23 HD22 ' A' ' 21' ' ' LEU . 64.1 mt -65.73 -45.04 92.98 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 CA-C-N 115.124 -0.944 . . . . 75.25 112.623 -176.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.55 ' HG2' HD13 ' A' ' 36' ' ' ILE . 93.6 mttt -65.64 -42.14 91.78 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.61 0.596 . . . . 71.34 112.61 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -65.8 -36.22 82.9 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 122.231 0.212 . . . . 71.31 111.065 175.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -54.53 -47.07 73.59 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.585 0.754 . . . . 71.43 111.674 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -60.49 -40.79 92.6 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 112.525 0.565 . . . . 72.25 112.525 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 99.8 p -72.0 -42.38 66.49 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 112.308 0.484 . . . . 44.21 112.308 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -68.71 -35.81 77.64 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.192 0.597 . . . . 72.42 111.766 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.9 m -66.49 -43.03 86.51 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.669 0.787 . . . . 74.12 110.334 172.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -62.17 -34.39 76.34 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.59 0.756 . . . . 74.42 111.297 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -64.37 -41.37 96.74 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 123.593 0.757 . . . . 65.22 110.999 173.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -75.27 -25.69 58.2 Favored 'General case' 0 CA--C 1.561 1.373 0 C-N-CA 123.393 0.677 . . . . 64.11 111.619 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -85.5 -23.07 27.91 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.657 -0.652 . . . . 73.14 111.291 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -75.8 -45.54 35.53 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.148 0.979 . . . . 75.33 109.898 171.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -116.81 87.31 2.67 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.711 1.204 . . . . 74.55 109.297 177.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -77.67 4.32 11.78 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 114.567 1.321 . . . . 72.21 114.567 -168.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -152.89 143.49 22.71 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.172 0.589 . . . . 74.33 110.892 173.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.5 p -164.61 100.65 0.8 Allowed 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.45 0.7 . . . . 73.33 110.913 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 64.89 136.06 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 125.387 1.475 . . . . 72.44 113.541 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -159.26 -56.69 0.06 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.268 1.027 . . . . 73.33 108.912 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.488 ' HB3' HD23 ' A' ' 72' ' ' LEU . 71.4 m -82.1 84.4 7.03 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 115.468 -0.787 . . . . 60.2 110.365 174.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.7 tp -81.65 98.01 8.17 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 116.096 -0.502 . . . . 75.24 109.768 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 61.54 29.18 18.21 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 124.478 1.111 . . . . 73.12 111.253 -173.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 69' ' ' CYS . 96.7 mt 54.0 77.05 0.2 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.293 1.037 . . . . 63.42 111.173 -170.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -69.48 124.53 24.15 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 123.164 0.586 . . . . 53.13 110.92 -176.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 . . . . . 0 CA--C 1.572 1.803 0 C-N-CA 123.671 0.788 . . . . 74.03 112.969 -175.252 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 120.965 0.412 . . . . 70.23 111.259 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -120.73 32.68 5.87 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.843 0.857 . . . . 63.13 109.9 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.3 mtm -73.89 136.51 76.77 Favored Pre-proline 0 CA--C 1.559 1.301 0 C-N-CA 124.057 0.943 . . . . 60.13 111.634 -174.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.469 ' HG3' ' HB3' ' A' ' 15' ' ' LYS . 37.0 Cg_endo -61.46 105.47 0.35 Allowed 'Trans proline' 0 C--N 1.379 2.184 0 C-N-CA 122.999 2.466 . . . . 74.44 112.721 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -76.8 157.9 31.24 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.663 0.785 . . . . 73.2 112.67 -175.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t 68.34 156.13 0.12 Allowed 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 125.133 1.373 . . . . 72.12 113.406 173.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -97.24 118.3 33.39 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.372 0.669 . . . . 72.43 110.427 176.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.15 117.32 4.39 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-N 116.15 -0.477 . . . . 72.51 112.419 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.67 98.7 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.373 0 C-N-CA 123.161 0.585 . . . . 74.05 110.29 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 60.78 16.2 6.56 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 125.136 1.375 . . . . 74.14 113.823 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.39 115.77 13.16 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.074 0.55 . . . . 62.11 110.205 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -79.56 70.63 6.07 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 121.788 0.804 . . . . 63.32 111.217 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -139.96 99.62 3.73 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.041 1.336 . . . . 72.21 110.582 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.2 p -77.63 163.65 26.03 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 109.359 -0.608 . . . . 54.4 109.359 170.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.469 ' HB3' ' HG3' ' A' ' 4' ' ' PRO . 12.4 ptpt -65.77 -22.65 66.6 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 112.307 0.484 . . . . 63.24 112.307 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -71.34 -46.27 60.95 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.338 0.655 . . . . 71.02 110.534 171.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.9 -50.64 67.95 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.283 0.633 . . . . 73.05 111.038 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.7 mt -52.97 -47.49 68.11 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.357 1.063 . . . . 71.2 112.244 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.5 -50.52 69.71 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.39 0.676 . . . . 75.43 112.323 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -71.69 -32.82 68.25 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.466 0.706 . . . . 74.05 112.502 -175.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.53 -34.42 70.02 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.892 0.477 . . . . 72.33 111.462 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.15 -40.14 90.34 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.003 0.521 . . . . 74.53 111.253 175.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.57 -45.26 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.293 0.637 . . . . 73.03 110.837 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.4 t -68.65 -28.33 66.79 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 115.806 -0.633 . . . . 72.22 112.139 176.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -69.48 -37.2 77.16 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.6 0.76 . . . . 70.25 111.004 176.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -69.79 -31.07 68.78 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 123.531 0.732 . . . . 61.33 111.618 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -79.84 -39.93 29.57 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.337 0.655 . . . . 75.34 111.247 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -160.34 103.43 1.42 Allowed 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 124.577 1.151 . . . . 71.01 110.923 -172.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -66.49 -28.98 69.0 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.563 0.696 . . . . 75.14 110.764 174.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -114.49 92.39 28.2 Favored Pre-proline 0 CA--C 1.557 1.225 0 C-N-CA 124.806 1.242 . . . . 63.4 108.14 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -77.57 149.49 27.08 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.031 2.487 . . . . 71.34 112.833 -174.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -89.67 -91.52 0.13 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.294 0.638 . . . . 72.0 111.388 -171.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -147.32 -57.22 0.25 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 124.027 0.931 . . . . 72.24 110.161 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.3 m -58.97 -42.27 89.53 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 124.067 0.947 . . . . 60.43 112.707 -173.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -58.77 -43.83 90.47 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.414 0.686 . . . . 73.24 110.982 173.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.455 HG21 ' HG3' ' A' ' 47' ' ' LYS . 10.5 mt -69.61 -33.3 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 CA-C-N 115.316 -0.856 . . . . 61.54 110.989 -175.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.68 -42.64 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.424 0.69 . . . . 71.44 110.758 173.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -64.97 -39.98 94.3 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 116.119 -0.491 . . . . 70.13 110.726 175.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 36' ' ' ILE . 92.1 mt -61.78 -37.57 84.83 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.287 0.635 . . . . 73.21 111.59 173.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 36' ' ' ILE . 58.5 mtm -64.48 -34.34 77.98 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 122.897 0.479 . . . . 62.25 111.273 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -70.03 -42.24 73.21 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.471 0.708 . . . . 74.11 111.773 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.8 mm -81.87 -62.11 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 122.873 0.469 . . . . 75.34 111.718 -175.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.2 p -69.31 -38.5 78.28 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.524 0.73 . . . . 64.24 111.96 -176.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.98 -4.58 59.08 Favored Glycine 0 N--CA 1.478 1.45 0 CA-C-N 116.368 -0.378 . . . . 72.43 113.747 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 mt -76.97 176.12 8.91 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.267 1.027 . . . . 74.14 111.688 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.6 p -104.97 156.12 18.33 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 123.442 0.697 . . . . 75.13 110.601 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HG3' HG21 ' A' ' 36' ' ' ILE . 36.9 ttpt -54.87 -46.4 74.73 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.949 1.092 . . . . 73.11 113.949 -171.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.48 -35.08 86.27 Favored Glycine 0 CA--C 1.539 1.586 0 CA-C-N 116.799 -0.182 . . . . 71.21 113.482 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -67.73 -41.32 83.64 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.958 0.903 . . . . 62.25 109.902 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.68 -46.14 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.569 1.147 . . . . 72.33 112.109 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -64.03 -29.55 70.69 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 112.274 0.472 . . . . 72.23 112.274 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.37 -33.89 75.62 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.411 0.284 . . . . 64.21 111.433 172.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -61.98 -47.4 84.98 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.542 0.337 . . . . 74.1 110.978 174.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -61.58 -32.01 72.08 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.165 0.586 . . . . 73.41 111.525 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -69.53 -44.16 71.54 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.12 0.568 . . . . 63.22 111.156 174.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -68.18 -35.34 77.87 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.272 0.629 . . . . 72.3 111.979 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.0 m -71.85 -40.55 68.93 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.116 0.566 . . . . 71.13 110.632 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -71.63 -27.72 63.29 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 122.691 0.396 . . . . 70.21 111.929 174.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.74 -55.84 20.11 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.686 0.395 . . . . 63.2 110.075 168.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -72.02 -6.84 45.14 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.688 0.795 . . . . 71.35 113.069 -178.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -73.25 -41.73 63.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.607 0.763 . . . . 74.25 109.555 169.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -108.2 5.9 26.21 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 113.107 0.78 . . . . 74.22 113.107 -176.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.503 HD21 ' HE3' ' A' ' 65' ' ' LYS . 9.0 t-20 -153.1 151.82 30.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 122.044 -0.41 . . . . 71.13 111.225 -175.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.4 p -164.54 -47.13 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 112.368 0.506 . . . . 72.42 112.368 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.503 ' HE3' HD21 ' A' ' 63' ' ' ASN . 1.4 mptm? 64.03 -178.06 0.16 Allowed 'General case' 0 N--CA 1.499 1.978 0 C-N-CA 124.377 1.071 . . . . 72.21 112.466 -171.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.6 t -121.48 99.12 6.29 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.846 0.858 . . . . 70.22 110.243 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -110.0 163.26 13.74 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.711 0.804 . . . . 73.5 111.874 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -110.33 173.38 6.36 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.838 0.855 . . . . 74.51 110.831 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 40.5 t -67.84 97.97 0.69 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.202 0.601 . . . . 65.4 111.209 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 tt -66.97 119.35 11.8 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.586 0.754 . . . . 60.25 110.085 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -121.03 97.8 5.69 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.623 0.769 . . . . 64.43 109.744 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.0 tp -95.07 106.71 18.73 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.176 0.59 . . . . 71.23 111.058 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -157.16 158.77 36.91 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.913 0.885 . . . . 74.54 109.718 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 CA--C 1.574 1.904 0 C-N-CA 123.69 0.796 . . . . 55.01 112.991 -177.42 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 110.969 -0.011 . . . . 72.43 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -76.95 -18.49 58.21 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.21 0.604 . . . . 63.51 112.206 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.4 mtt -57.07 105.01 0.46 Allowed Pre-proline 0 N--CA 1.489 1.492 0 C-N-CA 124.291 1.036 . . . . 72.21 112.336 -173.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_endo -93.16 -162.48 0.1 OUTLIER 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.276 2.651 . . . . 74.11 113.047 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.87 112.1 15.69 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.062 0.545 . . . . 65.21 110.463 173.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 m -68.87 -55.92 9.55 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.269 0.627 . . . . 64.03 110.375 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -125.56 121.5 33.84 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.781 0.832 . . . . 72.44 109.681 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.27 51.95 0.49 Allowed Glycine 0 N--CA 1.472 1.04 0 N-CA-C 111.878 -0.489 . . . . 62.14 111.878 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mp -80.07 115.39 22.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 C-N-CA 123.489 0.716 . . . . 64.02 110.141 -175.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -117.34 -67.39 1.0 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.622 0.769 . . . . 70.24 110.074 174.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 57.41 26.73 12.9 Favored 'General case' 0 N--CA 1.498 1.929 0 C-N-CA 124.092 0.957 . . . . 62.13 112.203 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -78.94 -2.67 41.15 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 125.033 1.333 . . . . 74.3 112.627 -171.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -57.02 105.62 0.24 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.496 1.119 . . . . 74.35 112.886 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 p -82.59 172.29 13.13 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.068 0.947 . . . . 71.05 111.312 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -57.37 -44.8 84.72 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 112.901 0.704 . . . . 75.01 112.901 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -62.97 -38.0 89.37 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.284 0.634 . . . . 74.03 111.738 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -69.56 -45.89 67.68 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.48 -0.782 . . . . 72.43 111.369 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.33 -32.7 73.5 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.046 0.939 . . . . 73.23 111.978 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.471 ' HA ' ' HZ2' ' A' ' 22' ' ' LYS . . . -63.04 -48.41 78.84 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 123.173 0.589 . . . . 61.04 111.715 177.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.44 -38.23 89.26 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.257 0.623 . . . . 73.04 112.074 175.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.09 -41.24 99.35 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.198 0.599 . . . . 72.22 111.99 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.471 ' HZ2' ' HA ' ' A' ' 19' ' ' ALA . 10.0 mtmp? -67.73 -38.68 83.87 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.998 0.519 . . . . 70.43 111.958 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.8 t -58.23 -44.81 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-O 121.234 0.54 . . . . 52.24 110.587 171.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.9 t -67.61 -29.54 68.9 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 115.412 -0.813 . . . . 73.05 112.027 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -72.03 -39.82 68.87 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.393 0.677 . . . . 73.54 111.597 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 96.0 mt -62.82 -23.77 67.43 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.414 0.686 . . . . 52.45 112.35 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -93.78 -59.84 1.9 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.845 0.858 . . . . 71.42 110.823 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -126.34 111.12 14.14 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.949 1.299 . . . . 54.03 110.289 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -75.88 -19.03 59.17 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.043 0.537 . . . . 72.04 111.302 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -134.49 92.18 20.76 Favored Pre-proline 0 CA--C 1.569 1.686 0 C-N-CA 124.349 1.06 . . . . 62.3 109.871 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.35 150.93 37.36 Favored 'Trans proline' 0 C--N 1.381 2.262 0 C-N-CA 123.409 2.74 . . . . 75.21 113.219 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -87.02 -75.89 0.38 Allowed 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.619 0.768 . . . . 73.34 112.61 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -150.95 -58.37 0.17 Allowed 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.547 0.573 . . . . 73.42 112.547 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.4 m -61.88 -39.0 90.4 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.756 0.822 . . . . 60.23 111.992 -176.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -68.5 -35.02 76.92 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.454 0.701 . . . . 63.3 111.468 176.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.8 mt -64.13 -48.76 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 C-N-CA 122.931 0.492 . . . . 63.31 110.902 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.49 -35.01 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 123.351 0.661 . . . . 72.33 111.325 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -56.97 -52.76 63.94 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 115.807 -0.633 . . . . 63.04 110.493 172.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.14 -40.88 97.44 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.184 0.594 . . . . 53.04 111.631 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.519 ' HG3' HD12 ' A' ' 50' ' ' ILE . 49.1 mtp -54.47 -45.23 73.13 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 123.884 0.874 . . . . 54.12 112.614 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -90.06 -13.87 35.02 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 113.186 0.81 . . . . 63.23 113.186 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.8 mm -86.87 -56.68 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 C-N-CA 122.684 0.394 . . . . 73.51 110.253 171.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.5 p -66.17 -49.72 66.42 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.587 0.755 . . . . 64.23 111.533 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.12 24.64 5.91 Favored Glycine 0 N--CA 1.479 1.536 0 CA-C-N 116.338 -0.392 . . . . 72.52 112.825 -173.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.5 mt -101.51 171.95 7.26 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 113.614 0.968 . . . . 54.0 113.614 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 70.6 p -97.51 170.99 8.66 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 114.531 -1.213 . . . . 54.54 110.157 170.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -60.82 -54.51 44.24 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.411 0.685 . . . . 70.13 111.67 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.03 -33.44 64.13 Favored Glycine 0 CA--C 1.538 1.504 0 N-CA-C 114.505 0.562 . . . . 52.32 114.505 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.13 -51.68 66.92 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.388 0.675 . . . . 71.22 111.694 175.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.519 HD12 ' HG3' ' A' ' 40' ' ' MET . 67.3 mt -67.72 -48.57 75.51 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 C-N-CA 123.529 0.732 . . . . 73.32 111.737 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -51.42 -52.34 46.98 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.479 1.111 . . . . 75.45 112.209 177.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -71.93 -31.21 66.12 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.774 -0.648 . . . . 51.23 111.544 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -60.7 -49.64 76.71 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 111.832 0.308 . . . . 74.14 111.832 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -61.23 -28.63 69.29 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.924 0.49 . . . . 73.02 112.04 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.8 m -68.28 -55.84 10.72 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.144 0.578 . . . . 72.23 111.37 173.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.22 -29.16 68.74 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 112.99 0.737 . . . . 62.42 112.99 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.1 m -78.73 -32.82 46.95 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.172 0.589 . . . . 71.23 110.682 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -40.44 95.6 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-O 121.036 0.446 . . . . 74.44 109.841 171.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -64.11 -45.32 89.16 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.957 0.903 . . . . 74.24 111.327 173.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -71.62 -29.75 65.01 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.694 0.797 . . . . 71.14 111.682 -175.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -68.49 -35.39 77.45 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.279 1.032 . . . . 41.33 110.917 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -98.78 9.49 43.28 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 123.384 0.674 . . . . 70.02 111.876 176.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -88.89 139.57 30.32 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.523 0.729 . . . . 74.45 110.55 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.6 t -76.88 119.82 21.16 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.524 0.73 . . . . 71.51 110.874 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? 68.68 110.05 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.953 1.301 . . . . 74.22 112.115 176.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.8 t -159.19 167.74 28.31 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.038 0.935 . . . . 73.31 110.747 178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -80.0 84.78 5.69 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 123.272 0.629 . . . . 73.35 111.394 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -88.04 144.55 26.45 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.89 -0.506 . . . . 75.41 111.295 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 54.1 t -86.29 85.46 7.34 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.465 0.706 . . . . 71.41 111.824 -174.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.1 mp -82.23 106.22 13.95 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.871 0.469 . . . . 75.41 111.045 176.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -77.14 90.02 3.65 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 108.709 -0.849 . . . . 71.2 108.709 166.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.629 ' H ' HD23 ' A' ' 72' ' ' LEU . 1.8 pt? -93.0 139.97 29.97 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.805 0.442 . . . . 73.24 110.93 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -135.8 99.65 4.23 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 108.513 -0.921 . . . . 51.33 108.513 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.565 HD21 HD12 ' A' ' 72' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.566 1.562 0 C-N-CA 123.92 0.888 . . . . 71.43 110.996 -176.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.3 m . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 110.721 -0.103 . . . . 73.34 110.721 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -90.4 -32.39 16.46 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.407 0.683 . . . . 74.42 110.939 173.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.5 mmt 66.77 89.4 0.1 OUTLIER Pre-proline 0 N--CA 1.487 1.401 0 C-N-CA 125.032 1.333 . . . . 71.2 111.747 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -84.32 -177.76 3.12 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 123.238 2.625 . . . . 51.45 113.339 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 60.42 23.09 12.67 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 124.604 1.162 . . . . 65.41 112.867 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -76.79 100.0 5.33 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.322 0.649 . . . . 72.42 110.331 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -95.9 -45.85 6.78 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.724 0.81 . . . . 74.44 111.701 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.61 157.73 18.88 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 123.062 0.363 . . . . 75.01 112.804 -175.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -76.74 113.19 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 123.591 0.756 . . . . 74.32 110.638 -173.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 60.64 25.6 15.34 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 124.31 1.044 . . . . 72.04 111.55 173.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.07 100.32 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.969 1.308 . . . . 73.41 111.245 -172.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -62.59 105.5 0.65 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.552 0.741 . . . . 73.4 110.049 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -68.37 149.81 48.92 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.259 0.623 . . . . 73.2 112.526 -172.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.5 p -65.29 158.03 27.44 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.25 0.62 . . . . 64.22 111.648 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -64.39 -24.71 67.73 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.371 0.668 . . . . 63.21 111.616 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -73.38 -46.75 47.15 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.658 0.783 . . . . 72.33 111.22 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -61.78 -38.62 88.74 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.105 0.562 . . . . 73.34 111.124 174.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 67.6 mt -64.74 -47.97 76.28 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.495 0.718 . . . . 71.14 111.241 175.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.44 73.71 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.089 0.956 . . . . 73.15 112.833 -174.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -62.44 -42.41 99.43 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.988 0.515 . . . . 64.24 111.746 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD22 HG23 ' A' ' 50' ' ' ILE . 84.7 mt -66.7 -36.68 83.07 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.653 -0.703 . . . . 73.5 111.377 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.488 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 47.9 mtpt -72.48 -44.1 62.76 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.184 0.594 . . . . 72.45 111.977 -177.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.1 t -60.84 -43.38 95.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 C-N-CA 122.753 0.421 . . . . 70.24 110.632 176.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.6 t -63.98 -38.51 91.35 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 115.819 -0.628 . . . . 73.53 111.204 174.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -62.85 -33.66 75.73 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 124.044 0.937 . . . . 75.14 112.099 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 77.6 mt -71.55 -33.25 68.96 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.59 0.356 . . . . 73.32 111.842 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -77.04 -43.39 34.7 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.26 0.553 . . . . 55.4 110.831 173.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -143.61 102.83 4.0 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.783 1.233 . . . . 63.52 110.201 -175.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.63 -29.4 68.71 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.632 0.73 . . . . 72.2 110.812 178.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -111.82 91.93 16.32 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 125.38 1.472 . . . . 73.5 107.754 171.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -75.53 143.45 27.45 Favored 'Trans proline' 0 C--N 1.366 1.476 0 C-N-CA 122.595 2.197 . . . . 62.54 113.074 -175.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -67.51 153.73 43.03 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.008 0.523 . . . . 71.43 109.923 173.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' O ' HG13 ' A' ' 37' ' ' ILE . 19.2 t70 -54.21 -40.91 68.08 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.093 0.557 . . . . 51.33 111.926 -177.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.8 t -63.25 -38.56 91.65 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.114 0.966 . . . . 71.23 112.31 176.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.68 -43.3 97.06 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.483 0.713 . . . . 65.34 110.757 175.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.0 mt -62.12 -36.23 73.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 123.796 0.839 . . . . 74.41 110.832 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.511 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 85.3 mt -63.1 -46.3 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 122.857 0.463 . . . . 64.12 110.724 174.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -55.26 -43.51 74.74 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.018 0.527 . . . . 64.24 111.029 175.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.6 -35.3 77.46 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-N 115.46 -0.791 . . . . 74.33 111.576 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.2 mtm -67.4 -39.87 85.6 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 122.513 0.325 . . . . 72.54 111.038 171.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 37' ' ' ILE . 32.2 mmmt -65.35 -29.2 69.9 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.495 0.718 . . . . 75.11 111.721 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.4 mm -92.37 -64.61 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 C-N-CA 122.9 0.48 . . . . 52.52 111.153 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.8 p -66.14 -33.39 75.67 Favored 'General case' 0 N--CA 1.502 2.146 0 N-CA-C 113.012 0.745 . . . . 73.45 113.012 -172.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.68 -0.35 67.55 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-N 116.378 -0.374 . . . . 34.42 113.684 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.4 mt -74.83 175.96 7.53 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.953 0.901 . . . . 72.45 112.132 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -101.33 159.4 15.3 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 115.802 -0.635 . . . . 63.31 110.854 172.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HG2' ' HE2' ' A' ' 51' ' ' LYS . 38.6 ttmt -56.23 -36.04 68.04 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.215 1.006 . . . . 71.35 112.426 -177.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.38 -54.94 32.04 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-N 115.995 -0.548 . . . . 62.15 112.906 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -56.22 -40.18 73.67 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 123.844 0.857 . . . . 75.34 112.444 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.412 HG23 HD22 ' A' ' 21' ' ' LEU . 72.6 mt -65.65 -47.88 84.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-N 115.199 -0.909 . . . . 64.35 111.731 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' HE2' ' HG2' ' A' ' 47' ' ' LYS . 55.6 mtmt -69.0 -29.83 68.11 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 112.171 0.434 . . . . 73.33 112.171 178.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -64.91 -34.49 78.53 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.234 0.614 . . . . 73.33 110.662 172.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -69.49 -49.93 50.07 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.291 174.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -61.35 -30.97 70.85 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.435 0.694 . . . . 71.21 111.791 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.1 t -61.92 -53.44 55.66 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.368 0.667 . . . . 72.52 110.949 175.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -63.55 -45.06 92.28 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.358 0.663 . . . . 73.24 111.665 178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.415 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 27.8 m -63.98 -35.6 81.24 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.813 0.845 . . . . 64.35 111.964 -176.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -64.61 -41.75 96.0 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.274 0.63 . . . . 72.34 111.197 170.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -66.27 -37.61 85.89 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 123.443 0.697 . . . . 71.35 111.972 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -70.9 -8.1 50.47 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 112.708 0.633 . . . . 72.12 112.708 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 57' ' ' THR . 57.2 mm-40 -89.2 -21.63 23.18 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.845 0.458 . . . . 74.35 110.715 172.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -121.23 18.44 11.52 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.029 0.932 . . . . 72.51 111.989 -176.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.59 86.87 0.32 Allowed 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.701 0.763 . . . . 71.12 112.437 -178.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.6 t -116.64 29.68 7.79 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.815 0.846 . . . . 74.31 110.415 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -54.41 126.17 22.35 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.235 1.014 . . . . 63.02 111.884 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.8 m -57.26 130.17 45.01 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.616 0.766 . . . . 72.23 112.291 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -69.32 96.2 0.84 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.264 0.626 . . . . 75.12 110.828 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -75.07 161.19 29.64 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.704 0.802 . . . . 70.21 111.448 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 67.9 m -83.6 -21.09 32.67 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.559 0.744 . . . . 62.32 111.095 174.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.1 tp 60.72 90.56 0.06 Allowed 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 125.466 1.506 . . . . 53.2 111.793 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 80.4 t60 69.08 113.43 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.797 1.639 . . . . 73.34 112.538 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.76 116.88 28.19 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.576 0.751 . . . . 71.21 109.224 176.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -134.03 127.57 32.55 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.569 0.747 . . . . 71.25 110.433 -177.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.562 1.418 0 C-N-CA 123.951 0.9 . . . . 62.25 109.11 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.296 0.093 . . . . 73.25 110.821 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -89.07 -25.5 21.88 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.062 0.545 . . . . 72.45 111.639 175.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.413 ' SD ' ' N ' ' A' ' 3' ' ' MET . 1.5 mpt? -101.51 105.09 38.36 Favored Pre-proline 0 N--CA 1.484 1.232 0 C-N-CA 123.75 0.82 . . . . 73.55 110.924 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -94.8 89.41 0.12 Allowed 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 123.399 2.733 . . . . 71.11 112.032 170.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.08 -78.88 0.09 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.275 0.63 . . . . 70.14 111.945 -176.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 m 53.46 71.88 0.47 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.757 1.223 . . . . 65.23 112.389 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -97.26 -15.29 20.88 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 112.348 0.499 . . . . 73.43 112.348 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.4 64.4 2.58 Favored Glycine 0 C--N 1.347 1.163 0 C-N-CA 122.719 0.199 . . . . 72.12 113.34 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.0 mp -79.69 91.02 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 CA-C-O 121.355 0.597 . . . . 75.25 109.601 175.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -120.35 29.0 7.7 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 124.514 1.125 . . . . 71.34 109.414 174.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.7 25.38 0.44 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.516 1.127 . . . . 75.13 113.401 -174.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -74.14 88.93 1.97 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.18 0.592 . . . . 75.41 109.583 172.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.461 ' HZ2' HD22 ' A' ' 45' ' ' LEU . 61.1 mttm -103.5 146.21 28.86 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.107 0.963 . . . . 75.45 110.577 -175.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.9 p -67.3 171.12 6.22 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 112.678 0.621 . . . . 64.42 112.678 -174.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -64.82 -31.57 72.86 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.302 0.641 . . . . 70.03 111.548 -172.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 2.1 mp0 -69.14 -50.69 45.52 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.883 0.873 . . . . 73.31 109.409 179.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.464 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 76.5 mt-30 -59.31 -54.93 41.22 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.727 1.211 . . . . 72.01 112.525 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 tt -58.66 -37.9 77.0 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 124.075 0.95 . . . . 75.32 110.625 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -64.41 -49.46 71.44 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.286 0.634 . . . . 54.51 112.135 177.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 39.3 mm-40 -56.93 -40.23 75.99 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 123.582 0.753 . . . . 74.14 112.047 179.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 17' ' ' GLN . 85.9 mt -68.81 -40.19 79.66 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.146 -0.934 . . . . 75.13 111.255 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 48.6 mtpt -65.69 -41.92 91.82 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.59 0.356 . . . . 73.34 111.833 176.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.433 HG12 ' HE2' ' A' ' 27' ' ' LYS . 83.2 t -59.7 -44.02 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 123.343 0.657 . . . . 72.43 110.856 177.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 t -65.68 -35.58 81.19 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.431 0.692 . . . . 75.42 111.762 175.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -68.81 -34.97 76.4 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.852 0.861 . . . . 73.13 111.708 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 94.8 mt -74.73 -25.89 59.42 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.421 0.689 . . . . 53.04 111.722 178.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HE2' HG12 ' A' ' 23' ' ' VAL . 66.4 mttm -70.65 -55.18 9.34 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.587 0.708 . . . . 52.1 109.831 169.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -151.89 122.13 7.23 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 114.601 -1.181 . . . . 74.51 109.469 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -72.97 -6.2 43.81 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 112.356 0.502 . . . . 74.41 112.356 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -122.55 93.01 48.79 Favored Pre-proline 0 CA--C 1.556 1.208 0 C-N-CA 124.767 1.227 . . . . 61.03 108.809 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -77.44 143.76 22.18 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 122.953 2.435 . . . . 50.44 113.408 -173.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -78.33 147.43 34.22 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.519 -0.764 . . . . 54.43 110.023 173.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -63.77 -34.95 79.05 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 122.821 0.448 . . . . 74.34 112.055 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.2 m -69.06 -35.09 76.17 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.157 0.583 . . . . 74.01 111.685 173.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -63.87 -37.13 86.25 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.313 0.578 . . . . 71.44 110.63 173.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.469 HG21 ' HG3' ' A' ' 47' ' ' LYS . 90.7 mt -66.55 -36.08 76.41 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 C-N-CA 123.74 0.816 . . . . 75.44 111.603 175.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.455 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 47.9 mm -54.69 -43.24 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 C-N-CA 123.062 0.545 . . . . 75.32 110.607 174.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -63.34 -45.18 92.43 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 123.905 0.882 . . . . 72.02 111.396 175.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.0 -38.78 89.89 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 123.409 0.684 . . . . 62.03 112.719 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.455 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 67.9 mtm -60.59 -29.97 69.53 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 123.554 0.742 . . . . 73.54 112.527 -177.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -68.3 -38.76 81.93 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.477 0.711 . . . . 54.33 111.873 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.8 mm -88.63 -35.71 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 123.246 0.619 . . . . 73.35 111.621 -177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.464 ' HB ' ' HG2' ' A' ' 17' ' ' GLN . 66.5 p -81.1 -51.43 8.47 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.025 0.53 . . . . 54.14 112.022 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.1 24.4 27.15 Favored Glycine 0 N--CA 1.474 1.224 0 CA-C-N 115.909 -0.587 . . . . 72.34 112.379 -170.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.461 HD22 ' HZ2' ' A' ' 13' ' ' LYS . 72.0 mt -98.78 164.15 12.34 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.177 0.991 . . . . 71.11 110.417 175.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.2 p -85.59 159.07 19.96 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 109.452 -0.573 . . . . 73.32 109.452 168.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HG3' HG21 ' A' ' 36' ' ' ILE . 5.4 ttpm? -59.4 -38.61 80.99 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.917 0.487 . . . . 71.31 110.952 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.434 ' O ' ' HG2' ' A' ' 52' ' ' LYS . . . -57.03 -50.53 63.48 Favored Glycine 0 CA--C 1.542 1.724 0 O-C-N 123.8 0.687 . . . . 74.13 113.738 174.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.8 -43.83 81.31 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.119 0.967 . . . . 64.52 112.503 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.87 -44.72 96.23 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 CA-C-N 115.633 -0.712 . . . . 64.32 111.291 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -61.56 -34.25 75.26 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 111.834 0.309 . . . . 72.02 111.834 177.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 48' ' ' GLY . 75.0 mmtt -61.4 -51.9 66.81 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.79 0.436 . . . . 75.13 110.559 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -56.22 -48.7 75.93 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.813 0.696 . . . . 71.23 111.493 -176.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -63.46 -35.62 81.05 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.257 0.623 . . . . 75.12 112.315 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.9 m -62.32 -46.92 86.56 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 122.544 0.338 . . . . 53.32 111.141 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.74 -35.59 80.48 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.261 0.624 . . . . 63.12 112.22 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.1 m -71.77 -35.24 70.0 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 123.0 0.52 . . . . 75.54 111.162 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -57.41 -32.15 66.56 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.626 0.77 . . . . 74.14 111.266 170.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -77.75 -41.59 37.11 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 123.288 0.635 . . . . 72.22 111.816 171.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -62.22 -34.15 75.93 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 112.833 0.679 . . . . 52.24 112.833 -174.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -77.54 1.1 20.48 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.325 0.65 . . . . 70.12 112.578 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -147.99 27.89 0.95 Allowed 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 124.469 1.107 . . . . 65.33 110.029 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -58.96 106.62 0.43 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.356 1.062 . . . . 64.42 111.943 -170.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.5 m 62.05 17.0 8.69 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.55 1.14 . . . . 75.1 112.614 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -99.14 142.38 30.7 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.954 0.902 . . . . 75.51 110.36 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.3 t -85.47 -58.35 2.7 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.093 0.557 . . . . 75.3 111.828 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 63.19 -178.4 0.15 Allowed 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.889 1.276 . . . . 74.23 111.926 -171.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -71.5 -48.38 49.4 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 122.012 -0.43 . . . . 51.23 110.689 174.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 72.2 m 60.97 93.53 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.875 1.27 . . . . 74.52 111.412 -173.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 tt -63.34 -48.1 79.42 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 108.857 -0.794 . . . . 63.45 108.857 174.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -89.17 91.89 8.97 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.398 0.679 . . . . 74.11 109.684 172.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -70.85 102.84 2.45 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.996 0.519 . . . . 72.23 110.029 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -82.9 74.94 9.83 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 109.644 -0.502 . . . . 72.2 109.644 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 p30 . . . . . 0 CA--C 1.57 1.714 0 C-N-CA 124.548 1.139 . . . . 74.23 110.676 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 120.731 0.3 . . . . 64.4 111.33 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -123.43 -30.34 3.67 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.134 0.974 . . . . 72.13 110.418 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.0 mtp 67.3 162.39 0.13 Allowed Pre-proline 0 CA--C 1.573 1.856 0 C-N-CA 124.439 1.096 . . . . 72.53 111.996 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -74.04 39.7 0.54 Allowed 'Trans proline' 0 C--N 1.385 2.47 0 C-N-CA 122.916 2.41 . . . . 74.01 114.454 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -77.77 72.73 4.33 Favored 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 123.829 0.852 . . . . 61.12 111.478 173.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -178.88 112.96 0.06 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.352 1.061 . . . . 65.43 110.638 173.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -139.76 129.34 24.37 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 123.758 0.823 . . . . 71.2 110.142 174.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.55 74.53 1.92 Allowed Glycine 0 CA--C 1.533 1.218 0 O-C-N 123.267 0.354 . . . . 71.23 113.306 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.2 mm -79.86 80.05 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.174 0 CA-C-O 121.652 0.739 . . . . 74.41 109.568 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -135.33 -70.09 0.49 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.804 0.842 . . . . 72.4 110.266 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.36 14.83 6.01 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 113.351 0.871 . . . . 74.24 113.351 -172.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -79.26 97.88 6.43 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.096 0.558 . . . . 70.2 111.483 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -70.95 106.55 3.69 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.12 0.968 . . . . 74.21 109.649 173.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.444 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 30.1 p -75.09 158.37 33.23 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.336 0.654 . . . . 74.51 112.61 -169.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' A' ' 18' ' ' LEU . 65.2 tttp -54.33 -32.57 56.96 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.642 1.177 . . . . 73.53 112.453 177.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -66.02 -42.57 89.47 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.218 1.007 . . . . 71.15 110.719 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -68.87 -41.18 78.73 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.436 0.694 . . . . 74.44 111.036 176.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.569 HD22 ' HE1' ' A' ' 53' ' ' TRP . 82.2 mt -57.95 -38.86 76.77 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.749 0.82 . . . . 73.23 111.497 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.04 -51.25 66.91 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 124.336 1.054 . . . . 55.13 113.474 -175.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -67.35 -34.33 77.1 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.432 0.693 . . . . 62.51 111.343 -177.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.565 HD22 HG23 ' A' ' 50' ' ' ILE . 62.0 mt -70.44 -35.93 73.64 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-N 114.956 -1.02 . . . . 73.51 111.233 176.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -62.28 -51.18 68.75 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.691 0.796 . . . . 41.44 110.886 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -63.45 -31.52 53.2 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.329 0 CA-C-N 115.676 -0.693 . . . . 60.3 111.214 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.1 t -68.78 -45.46 71.28 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 123.23 0.612 . . . . 62.34 111.154 172.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -62.89 -35.13 79.03 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.314 1.046 . . . . 63.23 111.667 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.6 -18.34 61.98 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 123.997 0.919 . . . . 64.42 112.901 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -94.89 -54.82 3.32 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 122.97 0.508 . . . . 73.45 109.742 166.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -155.11 144.37 21.07 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.181 0.808 . . . . 74.41 113.181 -178.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.687 ' HG3' ' HB3' ' A' ' 54' ' ' PHE . 29.8 tt0 -71.01 -29.94 66.02 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 123.355 0.662 . . . . 74.11 110.604 165.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -107.5 88.71 4.35 Favored Pre-proline 0 CA--C 1.558 1.288 0 C-N-CA 124.333 1.053 . . . . 72.22 109.73 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 29' ' ' GLN . 43.4 Cg_endo -91.9 -168.56 0.24 Allowed 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 123.159 2.573 . . . . 63.43 112.698 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.459 ' O ' HG13 ' A' ' 36' ' ' ILE . 83.1 m-70 -87.05 146.34 26.13 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.148 0.579 . . . . 73.12 111.367 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.22 -53.22 60.74 Favored 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 123.761 0.824 . . . . 60.34 112.453 -172.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.2 t -62.56 -32.22 73.16 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 123.536 0.734 . . . . 52.54 112.429 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -66.36 -38.09 86.8 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 123.898 0.879 . . . . 73.21 111.45 176.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 32' ' ' HIS . 49.4 mt -68.9 -36.42 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 C-N-CA 123.135 0.574 . . . . 73.35 110.539 175.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.3 mt -58.47 -41.36 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 123.112 0.565 . . . . 53.44 110.809 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.449 ' O ' HG12 ' A' ' 42' ' ' ILE . 38.5 ttm180 -68.93 -37.63 79.02 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 116.218 -0.446 . . . . 71.4 111.266 174.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 87.1 mt -59.67 -34.6 73.05 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.71 0.404 . . . . 73.21 111.336 173.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 52.6 mtm -63.87 -38.28 90.5 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 122.825 0.45 . . . . 32.41 110.886 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -69.88 -34.97 74.27 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.657 0.783 . . . . 72.42 111.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 38' ' ' ARG . 43.7 mm -78.72 -46.22 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 123.136 0.574 . . . . 65.13 111.53 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.6 p -83.47 -47.65 11.15 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.065 0.546 . . . . 70.44 112.054 -174.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.11 7.73 43.09 Favored Glycine 0 N--CA 1.48 1.618 0 C-N-CA 123.054 0.359 . . . . 40.23 112.749 -172.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.4 mt -88.46 174.87 7.86 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.308 1.043 . . . . 74.0 111.185 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.483 ' OG1' ' HG2' ' A' ' 49' ' ' GLU . 11.8 p -96.18 170.45 9.25 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 120.887 0.375 . . . . 63.24 110.821 175.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -56.62 -41.18 76.65 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.224 1.01 . . . . 63.34 111.183 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.93 -36.83 51.49 Favored Glycine 0 CA--C 1.537 1.445 0 CA-C-N 114.784 -1.098 . . . . 64.24 114.204 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.483 ' HG2' ' OG1' ' A' ' 46' ' ' THR . 34.5 mm-40 -63.42 -35.61 80.99 Favored 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 118.107 0.954 . . . . 72.03 112.508 -178.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.565 HG23 HD22 ' A' ' 21' ' ' LEU . 89.9 mt -68.43 -40.75 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.152 0 CA-C-N 115.506 -0.77 . . . . 74.54 111.136 178.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -70.42 -34.94 73.07 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.043 0.537 . . . . 75.4 112.07 175.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -60.19 -40.55 90.43 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.92 0.488 . . . . 73.14 110.265 171.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.569 ' HE1' HD22 ' A' ' 18' ' ' LEU . 86.1 t90 -62.75 -48.93 77.06 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 123.902 0.751 . . . . 74.44 110.717 176.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.687 ' HB3' ' HG3' ' A' ' 29' ' ' GLN . 19.4 m-85 -56.28 -49.52 74.0 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.127 0.571 . . . . 73.13 111.956 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -63.65 -43.2 97.47 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.561 0.744 . . . . 72.33 111.906 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.3 -37.87 78.0 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.938 0.895 . . . . 54.1 111.707 -177.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.443 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 87.6 m -68.03 -33.49 74.69 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.799 0.84 . . . . 51.34 111.185 178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.492 ' HB2' HE22 ' A' ' 29' ' ' GLN . 25.6 ttt180 -60.97 -34.1 74.24 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 122.573 0.349 . . . . 74.43 110.864 176.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -64.5 -44.86 89.6 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 116.053 -0.521 . . . . 54.12 110.62 170.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -63.51 -29.19 70.5 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.081 0.552 . . . . 62.1 112.211 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 57' ' ' THR . 12.6 mm-40 -77.74 -26.34 49.9 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.063 0.545 . . . . 72.4 111.751 177.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -104.94 4.97 32.42 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.099 0.559 . . . . 64.24 111.978 176.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -65.62 146.5 54.75 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.039 0.936 . . . . 74.42 111.28 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.4 m -85.33 106.76 16.96 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.311 0.644 . . . . 53.02 110.581 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -78.56 94.09 4.93 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.274 0.559 . . . . 61.51 111.457 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.8 p -76.68 128.37 34.54 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 115.794 -0.639 . . . . 74.14 109.68 171.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 68.32 171.65 0.28 Allowed 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.533 1.133 . . . . 72.2 112.008 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -65.73 -47.11 76.42 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.129 0.572 . . . . 74.31 112.106 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 68.4 m 63.99 13.41 7.65 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 114.659 1.355 . . . . 64.33 114.659 172.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.6 tt -76.77 -51.93 10.5 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 109.732 -0.47 . . . . 65.32 109.732 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 69.56 119.92 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 125.287 1.435 . . . . 72.43 111.734 -177.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -66.61 156.09 36.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.879 0.871 . . . . 64.34 112.603 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -129.67 106.04 8.45 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.967 0.907 . . . . 73.3 109.659 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 118.97 -0.538 . . . . 74.22 112.183 -179.124 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.0 t . . . . . 0 N--CA 1.494 1.76 0 N-CA-C 111.491 0.182 . . . . 75.22 111.491 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -64.91 -43.92 91.23 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.704 0.802 . . . . 61.02 110.823 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -105.75 151.85 40.01 Favored Pre-proline 0 CA--C 1.559 1.311 0 C-N-CA 124.154 0.982 . . . . 64.0 109.851 167.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -67.2 163.67 33.32 Favored 'Trans proline' 0 C--N 1.38 2.231 0 C-N-CA 122.528 2.152 . . . . 65.24 112.503 168.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 61.66 41.55 11.99 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.519 1.127 . . . . 73.12 112.667 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 p -67.45 148.56 51.38 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 115.686 -0.688 . . . . 54.21 111.274 174.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -63.44 96.4 0.11 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.534 0.734 . . . . 73.12 112.004 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.49 -132.15 5.43 Favored Glycine 0 CA--C 1.536 1.354 0 CA-C-N 115.767 -0.651 . . . . 63.02 112.672 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.69 99.7 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.169 0 C-N-CA 123.473 0.709 . . . . 72.32 110.551 -177.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -81.99 -50.63 8.9 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 109.507 -0.553 . . . . 73.52 109.507 171.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -152.43 27.82 0.57 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.13 0.972 . . . . 63.02 110.531 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -78.15 105.85 9.65 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.234 1.014 . . . . 52.23 111.042 -175.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? 67.58 114.79 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 125.472 1.509 . . . . 62.42 111.714 -172.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.0 p -70.56 162.39 28.94 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.785 0.834 . . . . 70.11 111.464 -176.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -64.72 -21.59 66.79 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 112.354 0.502 . . . . 52.25 112.354 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.87 -49.97 72.76 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.734 0.814 . . . . 75.43 110.43 172.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -70.48 -47.33 61.11 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.611 -1.177 . . . . 74.25 110.788 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 tt -55.52 -37.9 68.53 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 125.426 1.49 . . . . 65.3 110.875 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 23' ' ' VAL . . . -58.89 -50.87 72.41 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.585 0.754 . . . . 71.43 111.73 176.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -61.74 -40.02 93.64 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.165 0.586 . . . . 71.11 111.674 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.9 mt -67.46 -36.44 81.15 Favored 'General case' 0 CA--C 1.555 1.169 0 CA-C-N 115.26 -0.882 . . . . 63.11 111.258 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -68.11 -43.5 78.29 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 123.559 0.744 . . . . 55.54 111.673 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 19' ' ' ALA . 94.1 t -58.47 -40.99 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.166 0.587 . . . . 64.11 110.846 175.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.8 t -72.58 -32.66 66.18 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 123.175 0.59 . . . . 73.55 111.992 176.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -69.38 -40.67 77.27 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 123.928 0.891 . . . . 65.2 111.994 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.0 -23.74 64.13 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.697 0.799 . . . . 75.34 111.684 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -79.41 -49.73 11.89 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.388 0.675 . . . . 73.13 110.473 171.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -159.97 118.1 2.67 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.24 1.016 . . . . 61.01 109.945 -171.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' NE2' ' H ' ' A' ' 29' ' ' GLN . 2.0 mp0 -70.31 -29.74 66.55 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 123.797 0.839 . . . . 54.52 111.911 -176.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -116.28 82.54 11.83 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 124.319 1.047 . . . . 73.42 109.314 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -72.55 141.38 34.54 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 122.535 2.157 . . . . 64.35 112.574 -175.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -66.81 154.16 41.57 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.64 -0.709 . . . . 71.5 110.258 172.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.551 ' O ' HG12 ' A' ' 37' ' ' ILE . 7.6 m-20 -55.32 -33.69 63.54 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.06 0.763 . . . . 73.41 113.06 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.8 m -56.92 -45.98 82.32 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 123.679 0.791 . . . . 44.24 111.855 175.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -66.07 -37.6 86.21 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.329 0.652 . . . . 63.23 111.061 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.431 ' O ' ' HG3' ' A' ' 40' ' ' MET . 79.1 mt -68.82 -35.25 68.67 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.297 0 C-N-CA 123.182 0.593 . . . . 63.33 112.092 -178.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 33' ' ' ASP . 42.5 mm -61.36 -44.76 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 CA-C-O 121.558 0.694 . . . . 63.24 109.572 173.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -59.9 -40.72 89.72 Favored 'General case' 0 CA--C 1.559 1.316 0 CA-C-N 114.334 -1.303 . . . . 74.3 111.676 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.7 -37.7 82.65 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.334 0.654 . . . . 73.21 111.424 176.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.502 ' HE2' ' HA ' ' A' ' 37' ' ' ILE . 56.7 mtm -62.72 -32.37 73.48 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 122.926 0.49 . . . . 50.04 111.546 177.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -63.44 -35.7 81.28 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.626 0.77 . . . . 64.12 112.349 177.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.51 -50.59 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 123.027 0.531 . . . . 72.52 111.643 -173.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.8 p -70.81 -38.77 73.32 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.64 0.776 . . . . 72.21 111.986 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.23 -3.37 86.75 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-N 116.65 -0.25 . . . . 51.25 112.937 -173.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . 94.3 mt -74.97 166.98 22.8 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.001 0.921 . . . . 70.52 111.143 176.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.4 p -90.18 166.24 13.49 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.615 0.366 . . . . 73.42 110.128 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -54.97 -35.98 64.87 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 123.556 0.743 . . . . 75.24 111.912 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.01 -44.24 89.06 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-N 115.376 -0.829 . . . . 74.53 113.36 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 30.3 mm-40 -64.79 -36.82 85.55 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.183 0.593 . . . . 54.02 111.294 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.6 mt -70.94 -55.62 13.46 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 115.311 -0.859 . . . . 74.53 111.509 -178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -58.52 -34.44 70.97 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 118.288 0.494 . . . . 74.41 111.857 176.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.9 -45.82 92.07 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.448 0.468 . . . . 71.44 110.873 175.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -59.96 -48.63 80.92 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.527 0.331 . . . . 71.1 111.282 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -62.59 -38.14 88.97 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 122.998 0.519 . . . . 73.02 112.197 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.8 p -71.18 -38.72 72.12 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.662 0.385 . . . . 64.41 111.588 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.91 -28.12 68.05 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.046 0.538 . . . . 53.44 111.995 173.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.6 m -84.41 -27.74 27.4 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.986 0.514 . . . . 63.31 110.719 176.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -60.44 -36.65 78.71 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.219 0.533 . . . . 72.04 109.999 166.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -70.93 -48.14 55.18 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.031 -0.986 . . . . 74.12 111.205 171.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -58.67 -45.78 88.64 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 123.766 0.826 . . . . 70.11 112.452 -172.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -65.86 -42.91 89.8 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.178 0.591 . . . . 74.4 112.032 -177.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -75.64 -26.36 57.66 Favored 'General case' 0 N--CA 1.487 1.425 0 CA-C-O 120.725 0.297 . . . . 73.42 111.369 178.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.47 84.64 7.13 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.716 0.77 . . . . 72.41 109.567 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.0 m -139.19 112.21 7.98 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.13 -0.941 . . . . 73.04 108.863 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.77 120.83 13.21 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.28 0.632 . . . . 65.53 110.243 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.2 t -78.31 78.34 4.78 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.46 0.648 . . . . 74.24 112.05 -173.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -90.35 156.38 18.29 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.584 0.753 . . . . 73.31 109.757 170.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -72.89 82.69 1.2 Allowed 'General case' 0 CA--C 1.558 1.271 0 CA-C-O 122.115 0.96 . . . . 72.53 110.697 -177.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.6 t -90.61 -91.24 0.14 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.467 0.707 . . . . 63.43 111.217 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.3 mp -126.03 163.03 23.94 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.884 0.874 . . . . 73.11 110.689 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -96.63 -12.19 24.25 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.811 0.844 . . . . 61.45 110.68 170.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.3 tt -78.83 138.33 38.12 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.318 1.047 . . . . 60.04 110.866 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -149.32 144.85 26.71 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.074 0.949 . . . . 75.25 109.921 173.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 . . . . . 0 N--CA 1.487 1.391 0 C-N-CA 123.221 0.608 . . . . 71.35 111.732 -175.009 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.0 m . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.807 0.336 . . . . 72.32 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -72.34 110.31 6.67 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 122.812 0.445 . . . . 75.23 110.252 172.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 53.8 ttp -98.22 112.96 63.35 Favored Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 123.165 0.586 . . . . 64.12 110.489 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -89.01 41.8 0.58 Allowed 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 123.219 2.613 . . . . 73.51 113.116 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -69.53 -52.49 25.87 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.365 0.666 . . . . 65.4 111.892 -174.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.3 p -132.84 11.93 4.35 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.777 0.831 . . . . 62.3 110.888 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -107.98 0.67 22.01 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.449 0.699 . . . . 75.23 112.387 -168.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.91 66.61 3.73 Favored Glycine 0 N--CA 1.477 1.428 0 CA-C-O 120.997 0.221 . . . . 62.11 112.582 176.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.6 mt -86.65 126.43 40.77 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 123.923 0.889 . . . . 71.35 111.206 -174.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -74.31 79.91 1.85 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.885 0.874 . . . . 72.43 110.472 175.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.34 77.08 8.24 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.134 0.574 . . . . 65.53 111.731 -174.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -108.83 -24.96 11.03 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.349 0.659 . . . . 65.01 111.497 173.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -60.78 103.73 0.29 Allowed 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 123.347 0.659 . . . . 74.44 112.418 -176.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 19.6 p -74.76 173.5 10.45 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.963 0.905 . . . . 61.5 111.417 -179.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -73.54 -24.11 60.08 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.897 0.479 . . . . 62.11 111.466 174.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -68.61 -43.95 75.33 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.615 0.721 . . . . 74.42 110.296 174.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -69.57 -45.33 68.94 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 114.966 -1.015 . . . . 75.32 110.799 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.483 HD22 ' HE2' ' A' ' 22' ' ' LYS . 1.3 tt -62.06 -33.9 75.26 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.946 1.298 . . . . 71.43 110.982 -178.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.67 -50.6 73.24 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.691 0.796 . . . . 50.52 111.923 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -65.47 -38.15 88.95 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-N 116.041 -0.527 . . . . 75.21 111.586 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.486 HD23 HD13 ' A' ' 39' ' ' LEU . 92.8 mt -64.01 -38.73 92.16 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-N 115.672 -0.694 . . . . 73.1 111.631 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.483 ' HE2' HD22 ' A' ' 18' ' ' LEU . 63.0 mttm -61.69 -47.73 83.98 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.355 0.662 . . . . 74.42 111.192 174.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.7 t -56.63 -45.31 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.369 0.668 . . . . 72.13 110.905 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.57 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 25.9 t -68.85 -31.22 70.02 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.608 0.763 . . . . 75.34 112.05 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -67.65 -31.86 72.15 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.063 0.945 . . . . 53.51 111.004 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 22' ' ' LYS . 79.4 mt -65.81 -34.98 79.41 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.377 0.671 . . . . 62.45 111.601 174.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.57 ' HD3' ' HA ' ' A' ' 24' ' ' SER . 0.6 OUTLIER -65.97 -58.88 4.53 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 109.376 -0.602 . . . . 74.34 109.376 170.03 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.412 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -174.56 142.19 0.72 Allowed 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 114.826 -1.079 . . . . 63.01 110.967 -175.159 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -73.54 -26.92 61.07 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 121.391 0.615 . . . . 53.35 111.655 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -114.69 79.91 6.01 Favored Pre-proline 0 CA--C 1.557 1.236 0 C-N-CA 123.045 0.538 . . . . 72.44 109.646 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' HB2' HG13 ' A' ' 36' ' ' ILE . 16.8 Cg_exo -69.39 162.29 42.47 Favored 'Trans proline' 0 C--N 1.385 2.48 0 C-N-CA 122.873 2.382 . . . . 73.31 114.047 -176.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -73.74 -77.34 0.11 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.506 0.723 . . . . 64.3 111.453 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -158.25 -58.16 0.07 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.898 0.479 . . . . 73.32 111.39 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 t -61.9 -30.07 70.63 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.584 0.754 . . . . 65.03 112.178 -177.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.58 -44.72 93.23 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.864 0.866 . . . . 71.35 110.956 174.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.576 HG21 ' HG3' ' A' ' 47' ' ' LYS . 63.7 mt -67.1 -47.39 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 C-N-CA 123.332 0.653 . . . . 64.11 111.073 177.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.9 mt -65.33 -31.89 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.854 0.861 . . . . 75.51 111.324 -177.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -57.71 -46.94 83.71 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.674 0.79 . . . . 75.24 110.464 171.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.486 HD13 HD23 ' A' ' 21' ' ' LEU . 45.3 mt -65.51 -41.26 93.37 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-N 115.503 -0.771 . . . . 74.43 111.203 176.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.2 mtp -57.96 -32.98 68.36 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 123.495 0.718 . . . . 70.23 111.927 178.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.22 -30.62 38.62 Favored 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 113.11 0.782 . . . . 63.24 113.11 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.4 mm -97.34 -57.69 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 122.105 -0.372 . . . . 72.25 111.942 -176.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 p -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.268 0.627 . . . . 33.22 111.668 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.17 0.07 80.92 Favored Glycine 0 CA--C 1.537 1.449 0 CA-C-N 116.127 -0.488 . . . . 72.24 113.298 -175.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.8 mt -75.86 154.55 36.02 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.616 0.766 . . . . 62.22 111.102 173.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.3 p -79.4 162.1 25.74 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.954 -0.566 . . . . 71.4 110.426 175.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.576 ' HG3' HG21 ' A' ' 36' ' ' ILE . 40.7 ttmt -56.3 -34.91 66.94 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.279 0.632 . . . . 72.23 111.847 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.06 -43.35 95.88 Favored Glycine 0 CA--C 1.537 1.447 0 CA-C-N 116.001 -0.545 . . . . 23.21 113.757 176.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -62.08 -45.69 92.38 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.77 0.828 . . . . 65.34 112.127 175.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.43 HD13 ' HB2' ' A' ' 39' ' ' LEU . 95.9 mt -62.51 -52.83 54.99 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.168 0 C-N-CA 123.962 0.905 . . . . 73.15 111.913 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -56.75 -38.26 72.16 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 123.516 0.726 . . . . 32.44 112.252 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.54 -48.36 77.83 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.996 -0.547 . . . . 63.5 111.076 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -56.62 -48.47 77.42 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.926 0.766 . . . . 74.31 111.163 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -55.56 -44.96 77.31 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 124.081 0.863 . . . . 72.42 112.114 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.3 t -64.28 -37.75 88.58 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.865 0.466 . . . . 74.11 111.684 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -75.83 -26.51 57.27 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.984 0.735 . . . . 71.32 112.984 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 m -56.14 -42.87 77.61 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.248 0.833 . . . . 70.33 113.248 -171.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -59.44 -33.57 71.44 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 112.478 0.547 . . . . 72.41 112.478 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -65.27 -46.04 82.05 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-O 120.887 0.375 . . . . 72.4 110.37 172.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' N ' HD22 ' A' ' 60' ' ' ASN . 0.7 OUTLIER -68.54 -20.45 64.55 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.255 0.622 . . . . 64.13 111.212 179.169 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.97 26.28 4.76 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 125.087 1.355 . . . . 61.45 109.679 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -156.41 -16.88 0.1 Allowed 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 123.484 0.714 . . . . 74.02 111.478 173.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -73.88 166.74 22.8 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.321 1.048 . . . . 64.32 110.546 175.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.5 m -55.55 96.28 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.771 0.828 . . . . 55.22 111.864 177.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -62.78 150.9 40.22 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.361 1.064 . . . . 74.33 111.104 -176.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.5 m 71.14 64.67 0.16 Allowed 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.057 1.343 . . . . 73.22 109.477 -166.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -80.36 73.23 7.24 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.485 1.114 . . . . 63.44 111.796 -173.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -127.45 153.12 46.68 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.957 0.903 . . . . 73.24 109.764 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.7 t 62.14 72.92 0.48 Allowed 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 124.319 1.048 . . . . 63.33 110.753 -174.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.5 tt -78.3 149.31 33.53 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.877 0.871 . . . . 72.42 111.394 -173.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -49.59 101.99 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 125.047 1.339 . . . . 73.31 112.816 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -103.92 161.04 14.3 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.857 0.863 . . . . 75.4 111.648 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -85.48 173.02 10.54 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.981 0.913 . . . . 53.34 111.48 175.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 t30 . . . . . 0 CA--C 1.573 1.846 0 C-N-CA 124.95 1.3 . . . . 61.03 112.007 -179.421 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 111.809 0.3 . . . . 73.4 111.809 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 64.67 99.46 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 124.201 1.001 . . . . 75.31 110.759 -170.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 80.0 mtp 70.05 153.62 0.14 Allowed Pre-proline 0 N--CA 1.496 1.829 0 C-N-CA 125.419 1.488 . . . . 75.35 112.225 -172.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -47.9 124.04 9.41 Favored 'Trans proline' 0 C--N 1.392 2.816 0 C-N-CA 123.442 2.761 . . . . 65.41 113.496 175.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -63.94 123.73 19.74 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.69 0.796 . . . . 72.04 112.703 -172.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 t -84.3 80.9 9.05 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.55 0.74 . . . . 71.31 109.861 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -68.61 118.12 11.21 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.83 0.852 . . . . 71.44 111.507 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.07 -162.92 48.81 Favored Glycine 0 CA--C 1.536 1.38 0 CA-C-N 115.702 -0.681 . . . . 74.22 113.146 -173.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -83.41 82.32 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.23 0 CA-C-O 121.798 0.809 . . . . 73.22 109.077 175.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -113.63 -39.8 3.96 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 124.099 0.96 . . . . 75.52 109.755 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -96.18 164.49 12.65 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.52 0.728 . . . . 51.23 111.252 174.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -98.06 -177.6 3.79 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 123.984 0.914 . . . . 75.21 111.037 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 60.8 mttp -63.55 110.92 2.14 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.298 0.481 . . . . 71.33 112.298 -174.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.8 p -74.17 165.2 25.57 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.906 0.483 . . . . 75.02 109.843 170.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -68.9 -21.96 64.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 122.083 -0.385 . . . . 74.4 111.08 174.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.27 -39.35 86.06 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.09 0.556 . . . . 73.12 110.948 173.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' OE1' ' HA ' ' A' ' 13' ' ' LYS . 94.9 mt-30 -76.57 -52.94 8.76 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.667 0.746 . . . . 73.14 111.672 176.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.99 -39.36 83.26 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 124.612 1.165 . . . . 75.21 112.179 -169.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.34 -32.66 74.14 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 112.726 0.639 . . . . 63.21 112.726 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -67.32 -38.58 85.15 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.865 0.466 . . . . 62.12 111.514 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.4 mt -69.57 -35.95 75.84 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 115.989 -0.55 . . . . 74.3 111.046 173.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.49 ' HA ' ' HH2' ' A' ' 53' ' ' TRP . 7.1 tmtt? -67.73 -52.69 34.59 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.417 1.087 . . . . 72.22 110.849 -173.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.619 HG12 ' HE2' ' A' ' 27' ' ' LYS . 62.3 t -67.54 -35.55 73.52 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 C-N-CA 123.593 0.757 . . . . 65.41 110.942 178.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.9 t -63.55 -34.66 78.29 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 122.978 0.511 . . . . 74.22 111.602 174.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -68.49 -42.64 78.34 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.345 0.658 . . . . 63.33 111.374 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.44 -27.66 67.68 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.459 0.704 . . . . 71.51 111.734 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.619 ' HE2' HG12 ' A' ' 23' ' ' VAL . 64.4 mttm -85.5 -39.95 16.89 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 123.656 0.782 . . . . 64.55 111.55 174.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -159.13 129.21 5.73 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.528 0.731 . . . . 60.53 111.248 -174.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.29 -28.35 31.8 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.905 0.882 . . . . 74.31 111.704 -175.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -131.5 86.74 48.71 Favored Pre-proline 0 N--CA 1.486 1.361 0 C-N-CA 123.469 0.708 . . . . 64.32 110.679 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -77.91 162.51 29.33 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.812 2.341 . . . . 72.15 112.782 175.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -69.92 147.58 50.05 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.264 0.626 . . . . 74.11 110.893 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -60.24 -35.98 76.69 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.24 0.616 . . . . 63.11 112.64 -177.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m -73.93 -34.14 64.21 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.153 0.581 . . . . 61.43 111.446 176.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -67.55 -31.96 72.4 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.037 0.935 . . . . 73.23 111.151 173.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.5 mt -66.92 -33.18 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.793 0.837 . . . . 75.42 111.402 174.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.411 ' HA ' ' SD ' ' A' ' 40' ' ' MET . 65.9 mt -59.49 -35.66 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 122.839 0.456 . . . . 75.23 111.25 176.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -61.43 -48.63 80.32 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.19 0.596 . . . . 74.31 110.895 171.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.59 -29.82 70.28 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.251 0.62 . . . . 65.43 112.277 175.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.411 ' SD ' ' HA ' ' A' ' 37' ' ' ILE . 76.7 mtp -70.51 -36.76 73.94 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.878 0.871 . . . . 73.1 110.961 176.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -78.41 -10.7 59.8 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.413 0.685 . . . . 64.12 112.225 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 39.1 mm -91.73 -49.3 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.294 0.638 . . . . 74.22 110.53 170.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.8 p -76.73 -58.63 3.17 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.486 0.714 . . . . 65.32 111.73 -176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.55 1.87 32.79 Favored Glycine 0 N--CA 1.476 1.322 0 CA-C-N 116.061 -0.518 . . . . 61.5 112.313 -169.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 74.5 mt -88.03 178.22 6.72 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.434 1.094 . . . . 71.02 111.124 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.5 p -93.02 169.07 10.7 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.938 0.495 . . . . 63.43 111.08 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -66.93 -33.23 75.12 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.279 0.632 . . . . 74.34 110.666 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.04 -37.29 87.34 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-N 115.562 -0.745 . . . . 75.3 113.196 175.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -57.18 -49.47 75.88 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.853 0.861 . . . . 72.31 111.235 173.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.3 mt -73.87 -46.05 47.72 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.449 0 C-N-CA 123.603 0.761 . . . . 72.01 112.638 -174.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -54.28 -45.58 72.5 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 123.17 0.588 . . . . 75.01 111.433 173.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -65.54 -43.55 89.63 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.994 0.918 . . . . 62.14 111.514 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.49 ' HH2' ' HA ' ' A' ' 22' ' ' LYS . 78.5 t90 -60.65 -49.99 75.29 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.462 0.705 . . . . 75.55 111.88 -174.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -59.79 -34.98 73.75 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.551 0.741 . . . . 70.13 112.023 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.8 m -71.65 -42.8 67.11 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 123.119 0.568 . . . . 61.53 112.164 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -72.66 -30.94 64.7 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 112.493 0.553 . . . . 71.24 112.493 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.8 m -72.33 -37.09 68.98 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.672 0.789 . . . . 73.14 110.174 175.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 50.2 ttt85 -63.2 -37.99 89.39 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.376 1.07 . . . . 64.31 111.328 172.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.745 ' HA ' ' HB2' ' A' ' 63' ' ' ASN . 65.1 t80 -67.54 -41.95 83.48 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.988 0.915 . . . . 73.03 111.456 173.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -66.79 -41.73 87.14 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.02 0.928 . . . . 74.35 111.641 -172.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -69.12 -44.81 71.63 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 112.839 0.681 . . . . 60.42 112.839 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.59 -55.09 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 113.705 1.002 . . . . 74.35 113.705 -178.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.745 ' HB2' ' HA ' ' A' ' 59' ' ' TYR . 65.8 t30 61.5 -175.84 0.13 Allowed 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 123.754 0.822 . . . . 75.42 111.147 -172.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.1 t -142.93 -53.9 0.4 Allowed 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.331 -0.856 . . . . 71.3 110.854 171.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -165.17 -40.32 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 112.627 0.603 . . . . 72.13 112.627 177.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.0 m -118.33 -6.53 10.79 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.603 0.761 . . . . 75.4 112.665 -172.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 60.33 19.64 9.18 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 124.553 1.141 . . . . 75.32 112.39 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 54.87 84.53 0.07 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 124.796 1.238 . . . . 73.33 111.946 -169.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 28.9 p -77.36 -14.02 59.81 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 115.988 -0.551 . . . . 74.35 110.857 171.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.9 mt -76.9 137.79 39.34 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.002 0.921 . . . . 55.11 112.689 -178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -117.79 131.8 56.53 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.114 0.966 . . . . 72.24 109.158 170.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.12 136.44 57.95 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 109.072 -0.714 . . . . 73.22 109.072 173.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -58.21 90.93 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.632 0.773 . . . . 71.32 112.234 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 CA--C 1.57 1.745 0 C-N-CA 123.768 0.827 . . . . 74.42 111.028 178.268 . . . . . . . . 0 0 . 1 stop_ save_