data_1ioj_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 1ioj _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' PHE . . . . . . . . . . . . . 82.3 t80 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.42 -49.68 67.43 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 116.992 1.557 . . . . 0.0 116.992 174.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -53.97 -35.93 62.33 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 169.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.9 m -61.81 -60.49 3.57 Favored 'General case' 0 CA--C 1.565 1.529 0 CA-C-O 117.669 -1.158 . . . . 0.0 112.787 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.334 1.8 pt? -78.87 0.27 27.89 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 119.321 3.082 . . . . 0.0 119.321 175.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.71 -48.09 34.58 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.871 0.868 . . . . 0.0 112.829 158.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.58 -42.57 92.82 Favored 'General case' 0 CA--C 1.567 1.626 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 167.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.66 -33.47 74.02 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 170.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.3 -45.38 66.4 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 170.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.02 76.26 10.07 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 119.906 1.23 . . . . 0.0 109.976 169.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 169.28 -62.76 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 105.969 -1.864 . . . . 0.0 105.969 -162.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.86 -47.5 29.96 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.711 0.805 . . . . 0.0 112.795 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -70.23 -35.31 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 CA-C-N 119.135 0.88 . . . . 0.0 112.634 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.0 m -77.8 86.07 4.07 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 119.982 1.264 . . . . 0.0 110.264 171.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.406 53.3 ptt85 141.66 -53.52 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 127.4 2.28 . . . . 0.0 109.902 -165.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.203 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.0 t80 . . . . . 0 CA--C 1.569 1.693 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.89 -55.27 27.74 Favored Glycine 0 N--CA 1.487 2.051 0 CA-C-O 118.798 -1.001 . . . . 0.0 115.341 173.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -61.07 -38.09 84.97 Favored 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.259 5.7 t -63.51 -47.34 82.08 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.72 46.1 1.0 Allowed 'General case' 0 N--CA 1.499 2.012 0 CA-C-O 122.892 1.33 . . . . 0.0 114.528 159.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -117.51 52.18 0.99 Allowed 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 137.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -171.27 -55.63 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.92 1.288 . . . . 0.0 108.557 -169.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.291 63.2 pttt -64.07 -40.56 96.54 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 119.934 1.243 . . . . 0.0 113.618 153.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.33 57.11 4.09 Favored 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 161.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -122.33 -60.35 1.56 Allowed 'General case' 0 CA--C 1.559 1.309 0 C-N-CA 126.06 1.744 . . . . 0.0 108.593 166.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.0 -33.03 72.61 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 167.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.23 -44.62 91.3 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 120.48 1.491 . . . . 0.0 113.702 169.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.4 mm -63.68 -41.2 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 CA-C-N 119.58 1.082 . . . . 0.0 113.225 174.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.8 m -56.44 -44.17 80.17 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 171.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -80.86 -8.21 59.66 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 172.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.0 mm . . . . . 0 N--CA 1.494 1.769 0 CA-C-N 120.615 1.552 . . . . 0.0 109.365 178.204 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.6 t80 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 115.783 1.772 . . . . 0.0 115.783 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.69 -51.13 60.85 Favored Glycine 0 N--CA 1.49 2.291 0 CA-C-N 120.323 1.419 . . . . 0.0 115.428 164.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -57.14 -34.31 68.28 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 166.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.1 m -61.68 -54.88 36.76 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 119.709 1.141 . . . . 0.0 112.728 171.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.363 1.6 pp -70.6 -6.51 37.2 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 119.817 3.266 . . . . 0.0 119.817 173.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -73.92 -49.69 23.6 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.235 1.014 . . . . 0.0 112.764 163.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.62 -38.47 91.26 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 169.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -60.21 -49.85 75.98 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 172.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.61 80.61 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 170.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -59.12 -47.71 84.26 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 168.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -63.32 -44.43 94.97 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 171.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.59 -36.36 70.82 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.0 mt -70.61 -48.52 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 CA-C-N 120.107 1.321 . . . . 0.0 111.406 173.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 t -57.45 -26.88 61.87 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 117.622 2.452 . . . . 0.0 117.622 168.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -80.04 -40.77 27.06 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 123.629 0.772 . . . . 0.0 112.899 171.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.263 9.8 mm . . . . . 0 N--CA 1.492 1.653 0 C-N-CA 124.779 1.232 . . . . 0.0 110.026 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 . . . . . 0 N--CA 1.494 1.757 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.27 -49.02 70.83 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 116.726 1.45 . . . . 0.0 116.726 171.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -69.46 -31.48 69.81 Favored 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 116.382 1.993 . . . . 0.0 116.382 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.9 m -65.12 -67.08 0.47 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 120.811 1.641 . . . . 0.0 112.241 -174.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.269 0.8 OUTLIER -70.4 -1.15 9.79 Favored 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 119.109 3.003 . . . . 0.0 119.109 173.689 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -76.15 -57.69 3.72 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.785 1.234 . . . . 0.0 111.842 162.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.5 -35.12 79.93 Favored 'General case' 0 CA--C 1.567 1.61 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 172.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -61.32 -51.1 70.26 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 172.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.69 -38.64 88.56 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.04 -51.18 70.3 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 119.274 0.943 . . . . 0.0 113.205 170.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -54.36 -36.04 63.42 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 170.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.33 -64.87 0.83 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.715 1.143 . . . . 0.0 112.049 174.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.81 -40.1 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 CA-C-N 120.448 1.476 . . . . 0.0 113.912 -172.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 t -59.66 -38.28 81.03 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 121.161 1.801 . . . . 0.0 115.818 172.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -71.14 -40.62 71.28 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 168.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.258 79.5 mt . . . . . 0 N--CA 1.488 1.445 0 C-N-CA 125.133 1.373 . . . . 0.0 107.375 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.4 t80 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 122.133 0.968 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 172.71 -66.43 0.12 Allowed Glycine 0 CA--C 1.543 1.8 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 -166.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -59.06 -38.71 80.02 Favored 'General case' 0 CA--C 1.567 1.633 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 164.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.7 m -60.97 -58.67 7.47 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 119.419 1.009 . . . . 0.0 112.041 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.64 32.6 0.3 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 170.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -91.43 -66.02 0.96 Allowed 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 124.372 1.069 . . . . 0.0 108.746 158.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.18 -40.34 86.55 Favored 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -63.73 -37.0 85.73 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 173.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.8 96.37 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 167.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -54.75 -32.41 59.84 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 166.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -62.73 -39.25 93.51 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 167.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.06 -32.3 73.4 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 167.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.2 mm -64.92 -50.94 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 CA-C-N 120.924 1.693 . . . . 0.0 112.022 172.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.0 p -57.18 -43.08 82.3 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -57.15 -42.3 80.76 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 168.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.8 mm . . . . . 0 N--CA 1.495 1.795 0 C-N-CA 124.664 1.186 . . . . 0.0 112.988 174.847 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.7 t80 . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 122.216 1.007 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 166.72 -43.68 0.26 Allowed Glycine 0 CA--C 1.547 2.094 0 CA-C-N 114.596 -1.184 . . . . 0.0 112.759 -171.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -55.89 -35.94 67.1 Favored 'General case' 0 CA--C 1.572 1.799 0 CA-C-N 119.497 1.648 . . . . 0.0 114.909 141.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 m -65.92 142.03 58.02 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 119.507 1.049 . . . . 0.0 109.333 154.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.365 3.0 mt 78.96 -29.46 0.15 Allowed 'General case' 0 N--CA 1.512 2.649 0 N-CA-C 118.08 2.622 . . . . 0.0 118.08 -171.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -91.14 -74.29 0.51 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.748 1.219 . . . . 0.0 111.796 172.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.87 -37.94 82.45 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 172.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -61.31 -37.73 84.3 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 170.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.22 75.26 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 166.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.8 ttm105 -85.13 69.45 10.78 Favored 'General case' 0 CA--C 1.568 1.635 0 CA-C-N 119.382 0.992 . . . . 0.0 110.656 171.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 171.83 -60.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 -162.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.2 tp -67.46 -48.0 68.45 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 170.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -67.44 -44.75 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 CA-C-O 118.003 -0.998 . . . . 0.0 111.769 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m -55.88 -37.7 69.19 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 172.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -69.34 -41.72 76.25 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 168.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.276 25.4 mm . . . . . 0 N--CA 1.489 1.478 0 C-N-CA 124.684 1.194 . . . . 0.0 109.126 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.266 7.5 p90 . . . . . 0 N--CA 1.497 1.896 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.87 -53.61 39.56 Favored Glycine 0 N--CA 1.49 2.252 0 CA-C-N 119.668 1.122 . . . . 0.0 114.795 165.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -56.14 -33.31 65.06 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 167.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 m -58.42 -51.85 68.09 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 119.468 1.031 . . . . 0.0 112.804 167.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.336 3.1 pp -75.45 4.47 7.34 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 119.177 3.029 . . . . 0.0 119.177 170.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -78.07 -60.65 2.29 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.88 0.872 . . . . 0.0 110.784 162.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -56.58 -43.77 80.38 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 171.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -63.02 -37.1 85.82 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 173.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.63 -49.83 61.07 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 173.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -61.55 -36.73 81.44 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 173.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.9 -50.06 72.35 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 117.208 -1.377 . . . . 0.0 114.095 166.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -93.38 45.77 1.18 Allowed 'General case' 0 CA--C 1.57 1.743 0 CA-C-N 120.453 1.479 . . . . 0.0 114.33 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.4 mt -123.62 -54.46 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 154.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.8 t -78.0 90.56 4.18 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-N 120.684 1.583 . . . . 0.0 109.589 167.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 148.82 -63.61 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 126.533 1.933 . . . . 0.0 106.143 -154.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.289 51.9 mt . . . . . 0 CA--C 1.568 1.635 0 C-N-CA 124.406 1.082 . . . . 0.0 108.775 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.2 t80 . . . . . 0 CA--C 1.564 1.513 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.77 -49.51 70.06 Favored Glycine 0 N--CA 1.492 2.396 0 CA-C-N 119.983 1.265 . . . . 0.0 115.984 167.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -53.49 -31.61 46.66 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 117.254 2.316 . . . . 0.0 117.254 167.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.4 m -62.59 -61.68 2.26 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-N 119.999 1.272 . . . . 0.0 112.397 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.298 2.3 pt? -78.5 4.12 14.15 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 119.209 3.04 . . . . 0.0 119.209 176.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.84 -56.71 3.94 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.189 0.996 . . . . 0.0 111.502 163.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.22 -40.21 95.59 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 172.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -60.59 -47.89 84.19 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.12 96.62 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 171.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -57.21 -45.67 83.59 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 168.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.31 -21.22 66.68 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 116.991 2.219 . . . . 0.0 116.991 172.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.19 -39.99 95.16 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 120.741 1.61 . . . . 0.0 115.11 169.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mp -66.6 -46.59 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 CA-C-N 120.821 1.646 . . . . 0.0 112.443 173.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.1 p -59.58 -30.0 68.35 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 170.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -67.19 -40.18 86.47 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 163.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.296 75.7 mt . . . . . 0 CA--C 1.563 1.457 0 C-N-CA 125.025 1.33 . . . . 0.0 107.515 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.91 -22.64 78.71 Favored Glycine 0 CA--C 1.552 2.389 0 N-CA-C 117.225 1.65 . . . . 0.0 117.225 164.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -81.76 -152.34 0.1 Allowed 'General case' 0 CA--C 1.58 2.127 0 CA-C-N 119.572 1.686 . . . . 0.0 109.436 155.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.44 24.9 m 67.75 -87.2 0.03 OUTLIER 'General case' 0 CA--C 1.565 1.541 0 O-C-N 120.492 -1.38 . . . . 0.0 113.784 169.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -70.66 -3.46 18.52 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 119.055 2.983 . . . . 0.0 119.055 168.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.8 -56.71 4.41 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 124.836 1.254 . . . . 0.0 112.035 166.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.63 -42.04 98.33 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -56.55 -46.17 80.84 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.73 -49.1 72.15 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -57.88 -38.65 76.16 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 170.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -63.38 -44.74 93.89 Favored 'General case' 0 CA--C 1.567 1.617 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 169.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.9 mp -71.47 -48.75 47.26 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.41 -45.01 99.8 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.832 0 CA-C-O 117.436 -1.269 . . . . 0.0 112.488 175.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.9 p -56.43 -39.07 72.46 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 117.041 2.238 . . . . 0.0 117.041 171.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -65.99 -48.92 69.61 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 170.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.312 1.7 mp . . . . . 0 CA--C 1.565 1.537 0 C-N-CA 124.81 1.244 . . . . 0.0 109.78 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.4 t80 . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.74 -42.49 93.14 Favored Glycine 0 CA--C 1.554 2.522 0 CA-C-N 120.393 1.451 . . . . 0.0 115.267 158.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.03 -28.07 66.07 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 165.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.9 m -62.5 -59.47 4.91 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.046 1.294 . . . . 0.0 112.867 177.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.282 2.3 pt? -75.71 2.85 10.98 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 118.786 2.884 . . . . 0.0 118.786 171.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -77.94 -58.28 3.35 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.144 0.977 . . . . 0.0 111.077 163.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -61.72 -43.46 98.8 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 174.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -55.19 -50.03 70.41 Favored 'General case' 0 CA--C 1.565 1.532 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 171.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.96 96.38 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 172.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -58.33 -45.4 88.16 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 170.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.92 -42.86 99.58 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 170.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.1 -52.51 41.04 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 119.491 1.041 . . . . 0.0 113.658 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.05 -47.53 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 CA-C-O 117.901 -1.047 . . . . 0.0 113.022 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.8 m -60.04 -39.67 86.71 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.6 ttp-105 -66.59 -39.64 88.52 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 169.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.282 25.5 mm . . . . . 0 N--CA 1.489 1.49 0 C-N-CA 124.979 1.311 . . . . 0.0 109.179 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 122.235 1.017 . . . . 0.0 108.405 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.66 -62.32 0.18 Allowed Glycine 0 CA--C 1.54 1.596 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.615 -163.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.58 -43.2 99.4 Favored 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 168.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.253 9.2 t -61.34 -54.32 45.29 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 176.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -84.1 26.19 0.77 Allowed 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 116.838 2.162 . . . . 0.0 116.838 170.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -89.68 -61.83 1.61 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 123.961 0.904 . . . . 0.0 109.775 155.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -63.61 -44.89 92.65 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -62.33 -39.52 93.36 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 173.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.6 -49.32 73.79 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 173.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -56.67 -46.02 81.38 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 171.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.83 -37.41 76.38 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 168.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 tp -66.24 -32.31 73.65 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 171.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.0 mm -64.53 -45.37 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 CA-C-N 120.475 1.489 . . . . 0.0 112.305 168.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.0 m -55.35 -36.49 66.36 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -66.79 -46.85 73.93 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 166.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.258 80.0 mt . . . . . 0 N--CA 1.493 1.68 0 C-N-CA 124.857 1.263 . . . . 0.0 110.371 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.7 t80 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.616 -1.183 . . . . 0.0 108.563 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.42 -44.44 84.25 Favored Glycine 0 N--CA 1.492 2.432 0 CA-C-N 120.725 1.602 . . . . 0.0 115.125 164.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -54.84 -35.06 63.57 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 116.458 2.021 . . . . 0.0 116.458 164.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.7 m -60.94 -63.72 1.2 Allowed 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 117.266 -1.349 . . . . 0.0 112.384 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.3 2.0 pt? -73.72 1.19 10.87 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 175.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -81.07 -56.87 3.81 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 124.179 0.991 . . . . 0.0 111.908 166.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.08 -36.52 82.17 Favored 'General case' 0 CA--C 1.567 1.596 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 171.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -61.79 -46.06 91.18 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.42 84.44 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 116.358 1.984 . . . . 0.0 116.358 170.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 ttm105 -60.15 -47.8 84.42 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 170.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.88 -42.48 98.03 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 169.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.0 tp -58.33 -48.42 80.61 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 173.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.87 -35.73 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 C-N-CA 124.19 0.996 . . . . 0.0 113.637 172.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.2 m -58.12 -46.56 85.39 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 172.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -71.2 -49.66 41.22 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 172.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.267 1.7 mp . . . . . 0 N--CA 1.492 1.63 0 C-N-CA 124.627 1.171 . . . . 0.0 109.747 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.4 t80 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 117.681 -1.152 . . . . 0.0 113.479 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.18 -42.3 81.45 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 117.224 1.649 . . . . 0.0 117.224 170.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -59.39 -41.52 89.59 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 170.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.7 p -65.71 -58.22 6.21 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 117.209 -1.377 . . . . 0.0 113.87 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.359 1.4 pt? -75.68 -3.91 37.29 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 118.933 2.938 . . . . 0.0 118.933 177.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -75.83 -52.33 10.62 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.77 0.828 . . . . 0.0 112.488 160.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.83 -43.11 94.75 Favored 'General case' 0 CA--C 1.566 1.568 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 170.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -63.87 -40.66 97.08 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 173.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.81 97.44 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.68 1.734 . . . . 0.0 115.68 170.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -59.53 -43.24 93.51 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 168.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -56.07 -45.25 79.39 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 114.924 1.454 . . . . 0.0 114.924 167.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.66 -38.65 87.29 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 174.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.3 mt -62.7 -35.39 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 CA-C-N 119.594 1.088 . . . . 0.0 113.815 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.6 p -58.33 -39.92 80.73 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 169.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -71.59 -49.09 43.72 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 168.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.3 mm . . . . . 0 N--CA 1.492 1.643 0 C-N-CA 125.087 1.355 . . . . 0.0 110.73 -174.722 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.2 -46.39 62.9 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 117.025 1.57 . . . . 0.0 117.025 170.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -61.34 -33.28 73.36 Favored 'General case' 0 CA--C 1.571 1.771 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 168.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.9 m -63.5 -60.0 3.92 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-N 119.955 1.252 . . . . 0.0 112.949 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.292 1.8 pt? -74.56 -0.12 16.69 Favored 'General case' 0 N--CA 1.502 2.125 0 N-CA-C 118.922 2.934 . . . . 0.0 118.922 172.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -76.25 -56.13 4.93 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 124.539 1.136 . . . . 0.0 111.832 163.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.45 -46.26 89.32 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 173.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -47.08 77.24 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 173.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.63 -31.0 72.03 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 169.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -61.88 -49.41 76.34 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 170.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.85 -38.84 92.33 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 171.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 mt -69.2 -47.33 65.14 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.74 -49.9 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 CA-C-O 117.545 -1.217 . . . . 0.0 111.594 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.9 m -81.3 87.67 6.12 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 120.443 1.474 . . . . 0.0 109.699 173.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 153.82 -63.48 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 105.79 -1.929 . . . . 0.0 105.79 -155.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.262 83.5 mt . . . . . 0 N--CA 1.492 1.628 0 C-N-CA 125.184 1.393 . . . . 0.0 108.611 173.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 t80 . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.0 -45.56 96.37 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 170.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -62.07 -36.16 80.82 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 172.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.8 m -61.24 -57.27 13.08 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.813 1.188 . . . . 0.0 112.105 170.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.288 3.5 pp -66.77 -3.54 6.99 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 119.719 3.229 . . . . 0.0 119.719 172.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -78.68 -60.34 2.42 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 124.59 1.156 . . . . 0.0 111.028 168.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -63.09 -38.15 90.03 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -58.18 -45.87 86.77 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 172.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.82 -38.25 83.01 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 172.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -61.81 -45.38 94.11 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 170.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.95 -41.65 96.71 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 169.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.4 tp -66.32 -44.24 83.9 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.7 mt -64.58 -42.55 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 CA-C-N 119.618 1.099 . . . . 0.0 112.502 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.1 m -55.73 -41.12 73.45 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 169.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -64.84 -45.53 85.74 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 168.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 N--CA 1.489 1.475 0 C-N-CA 124.694 1.197 . . . . 0.0 110.337 -172.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.6 t80 . . . . . 0 CA--C 1.567 1.612 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.2 -40.65 94.09 Favored Glycine 0 CA--C 1.555 2.565 0 CA-C-N 120.267 1.394 . . . . 0.0 116.289 158.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -64.75 -32.54 74.27 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 166.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.8 m -61.77 -53.73 51.97 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 120.174 1.352 . . . . 0.0 112.749 170.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.343 2.9 pp -73.28 0.92 10.55 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 119.099 2.999 . . . . 0.0 119.099 171.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -77.13 -56.42 4.59 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.107 0.963 . . . . 0.0 111.245 164.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -60.23 -39.71 87.61 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 172.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -59.85 -49.91 75.85 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 171.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.18 95.62 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 173.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -58.0 -43.65 86.76 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 171.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.0 -45.6 92.22 Favored 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 168.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -74.36 -40.9 61.83 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.58 -48.32 80.76 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.833 0 CA-C-N 120.589 1.54 . . . . 0.0 111.663 172.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.8 t -54.82 -36.56 65.12 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 169.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -62.38 -60.22 3.87 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.805 0.842 . . . . 0.0 112.6 167.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.268 10.1 mm . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -171.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.6 t80 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 117.64 -1.171 . . . . 0.0 113.936 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.54 -44.93 90.56 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 116.896 1.518 . . . . 0.0 116.896 171.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -57.03 -36.27 70.27 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 116.658 2.096 . . . . 0.0 116.658 165.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.6 m -63.11 -59.69 4.43 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 120.017 1.28 . . . . 0.0 112.947 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.297 1.9 pt? -75.85 2.0 13.52 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 118.773 2.879 . . . . 0.0 118.773 173.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.05 -56.23 4.85 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.883 0.873 . . . . 0.0 111.735 162.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.23 -43.49 92.37 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 172.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -58.41 -52.34 66.05 Favored 'General case' 0 CA--C 1.56 1.332 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 172.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.33 78.26 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 173.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -54.55 -43.56 72.11 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 169.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.44 -36.74 84.73 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 169.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.14 -37.93 84.61 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 169.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.7 mm -63.99 -52.05 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 CA-C-N 119.967 1.258 . . . . 0.0 111.656 169.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.2 p -81.54 58.7 3.8 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 172.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.309 5.5 ppt_? -167.15 -41.83 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 126.25 1.82 . . . . 0.0 109.537 173.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.491 1.597 0 C-N-CA 125.074 1.35 . . . . 0.0 113.077 157.786 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.2 t80 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 118.23 -0.89 . . . . 0.0 108.829 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.37 -43.76 94.48 Favored Glycine 0 CA--C 1.552 2.396 0 CA-C-N 120.138 1.335 . . . . 0.0 115.207 159.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.83 -34.68 73.41 Favored 'General case' 0 CA--C 1.569 1.68 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 165.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.5 m -59.47 -54.51 45.75 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 120.381 1.446 . . . . 0.0 112.655 170.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.316 2.9 pp -71.69 0.88 7.73 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 119.262 3.06 . . . . 0.0 119.262 171.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -80.04 -58.66 3.05 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.38 1.072 . . . . 0.0 110.789 166.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.18 -44.22 95.25 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 115.794 1.775 . . . . 0.0 115.794 170.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -56.81 -47.86 79.31 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 174.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.41 -45.9 88.87 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 173.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.46 -49.64 77.02 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.5 -28.99 70.22 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 169.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.0 tp -65.45 -37.88 88.18 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 169.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.4 mm -61.88 -49.47 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 CA-C-N 120.549 1.522 . . . . 0.0 112.27 172.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.4 p -57.57 -44.56 85.39 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 172.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -55.28 -52.91 61.91 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 171.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.256 1.7 mp . . . . . 0 N--CA 1.493 1.69 0 C-N-CA 124.87 1.268 . . . . 0.0 113.186 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.7 t . . . . . 0 CA--C 1.574 1.881 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -89.91 130.1 1.77 Allowed 'Trans proline' 0 CA--C 1.56 1.802 0 C-N-CA 122.604 2.203 . . . . 0.0 112.134 -169.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -80.0 121.0 24.94 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.233 0.613 . . . . 0.0 109.862 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.5 t -92.23 149.46 4.15 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.824 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.468 -166.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -152.38 73.21 1.02 Allowed 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 167.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.254 9.8 t 45.38 57.39 4.9 Favored 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 -161.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -121.58 -66.32 1.05 Allowed 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 124.017 0.927 . . . . 0.0 109.184 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.38 -13.25 37.56 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 116.361 1.985 . . . . 0.0 116.361 163.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.64 -51.24 66.05 Favored 'General case' 0 CA--C 1.567 1.624 0 CA-C-N 120.474 1.488 . . . . 0.0 113.619 163.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -65.82 -60.42 2.89 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.756 0.822 . . . . 0.0 113.002 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.97 76.78 10.23 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 123.371 0.668 . . . . 0.0 110.161 166.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -85.36 -41.41 15.5 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 172.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -49.27 13.05 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.19 0.996 . . . . 0.0 113.594 175.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -63.64 -44.58 93.44 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 168.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.42 -49.68 67.43 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 116.992 1.557 . . . . 0.0 116.992 174.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -53.97 -35.93 62.33 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 169.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.9 m -61.81 -60.49 3.57 Favored 'General case' 0 CA--C 1.565 1.529 0 CA-C-O 117.669 -1.158 . . . . 0.0 112.787 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.334 1.8 pt? -78.87 0.27 27.89 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 119.321 3.082 . . . . 0.0 119.321 175.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.71 -48.09 34.58 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.871 0.868 . . . . 0.0 112.829 158.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.58 -42.57 92.82 Favored 'General case' 0 CA--C 1.567 1.626 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 167.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.66 -33.47 74.02 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 170.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.3 -45.38 66.4 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 170.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.02 76.26 10.07 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 119.906 1.23 . . . . 0.0 109.976 169.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 169.28 -62.76 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 105.969 -1.864 . . . . 0.0 105.969 -162.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.86 -47.5 29.96 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.711 0.805 . . . . 0.0 112.795 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -70.23 -35.31 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 CA-C-N 119.135 0.88 . . . . 0.0 112.634 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.0 m -77.8 86.07 4.07 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 119.982 1.264 . . . . 0.0 110.264 171.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.406 53.3 ptt85 141.66 -53.52 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 127.4 2.28 . . . . 0.0 109.902 -165.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -76.36 -81.65 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.6 tptt 59.66 66.45 1.0 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.653 1.181 . . . . 0.0 113.119 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.25 60.2 mt-30 56.01 56.68 5.72 Favored 'General case' 0 CA--C 1.567 1.634 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -169.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.1 m -117.9 -97.41 0.46 Allowed 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 117.973 -1.013 . . . . 0.0 108.493 176.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -71.16 0.64 7.32 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 161.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -76.98 -47.37 20.94 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 119.204 0.911 . . . . 0.0 110.821 159.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.9 m -87.03 -110.03 0.06 Allowed 'General case' 0 CA--C 1.558 1.256 0 CA-C-O 117.399 -1.286 . . . . 0.0 109.906 174.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.266 . . 70.23 -68.92 0.19 Allowed 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 120.132 1.333 . . . . 0.0 113.511 -171.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -68.14 -36.92 80.46 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 164.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.6 mmm -66.76 -44.15 82.19 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 117.248 -1.358 . . . . 0.0 114.025 169.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -67.75 -34.9 77.74 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -59.68 -46.97 87.43 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 163.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -61.45 -39.4 90.71 Favored 'General case' 0 CA--C 1.567 1.634 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 172.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -65.98 -39.85 90.71 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 120.416 1.462 . . . . 0.0 113.3 175.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.4 p -87.18 69.43 10.08 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 121.975 0.893 . . . . 0.0 111.826 169.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 175.1 -63.73 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 -165.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.0 m -65.47 -54.77 23.6 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.522 1.129 . . . . 0.0 112.499 175.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -61.68 -40.6 95.55 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 169.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -60.56 -37.5 81.48 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -56.91 -42.15 79.42 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 166.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 t -65.14 -50.62 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 CA-C-N 119.077 0.853 . . . . 0.0 112.443 170.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -61.31 -49.9 75.15 Favored 'General case' 0 CA--C 1.56 1.332 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 -173.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -52.93 -29.44 28.7 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 117.812 2.523 . . . . 0.0 117.812 169.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -86.87 -55.88 3.64 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.006 0.923 . . . . 0.0 111.537 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.4 mt -103.17 -128.48 0.23 Allowed 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.941 0.897 . . . . 0.0 109.093 -168.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.325 36.3 ttpt 59.1 -113.97 0.7 Allowed 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.726 1.21 . . . . 0.0 111.037 -173.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.25 18.5 tt -92.18 -67.91 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.563 0 C-N-CA 124.667 1.187 . . . . 0.0 108.863 161.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -140.65 -87.18 0.18 Allowed 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.485 1.311 0 CA-C-N 119.482 1.037 . . . . 0.0 111.207 174.194 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 CA--C 1.562 1.438 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.44 97.07 1.11 Allowed 'Trans proline' 0 CA--C 1.563 1.936 0 CA-C-N 123.791 2.39 . . . . 0.0 112.592 -172.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -104.39 127.69 52.1 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.918 0.887 . . . . 0.0 109.563 -175.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 5' ' ' SER 0.357 13.1 p -128.94 -121.72 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.335 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.509 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.408 ' H ' HG12 ' A' ' 4' ' ' VAL . 11.6 t 52.36 55.47 9.09 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -157.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.28 14.4 t 51.3 63.29 2.3 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 115.267 1.581 . . . . 0.0 115.267 -162.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.8 -56.67 1.05 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.232 1.013 . . . . 0.0 109.549 171.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.8 tp -61.97 -29.0 69.95 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 161.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.61 -55.64 19.01 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 119.697 1.135 . . . . 0.0 113.833 172.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -73.8 -46.23 46.6 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.1 mt -77.07 -54.59 6.34 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.927 0.891 . . . . 0.0 112.33 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.558 22.4 pttp 70.37 -76.0 0.07 Allowed 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 116.539 2.052 . . . . 0.0 116.539 166.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.89 -43.68 29.38 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 169.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -67.9 -34.85 77.43 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 164.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.89 -55.27 27.74 Favored Glycine 0 N--CA 1.487 2.051 0 CA-C-O 118.798 -1.001 . . . . 0.0 115.341 173.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -61.07 -38.09 84.97 Favored 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.259 5.7 t -63.51 -47.34 82.08 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.72 46.1 1.0 Allowed 'General case' 0 N--CA 1.499 2.012 0 CA-C-O 122.892 1.33 . . . . 0.0 114.528 159.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -117.51 52.18 0.99 Allowed 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 137.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -171.27 -55.63 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.92 1.288 . . . . 0.0 108.557 -169.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.291 63.2 pttt -64.07 -40.56 96.54 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 119.934 1.243 . . . . 0.0 113.618 153.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.33 57.11 4.09 Favored 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 161.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -122.33 -60.35 1.56 Allowed 'General case' 0 CA--C 1.559 1.309 0 C-N-CA 126.06 1.744 . . . . 0.0 108.593 166.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.0 -33.03 72.61 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 167.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.23 -44.62 91.3 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 120.48 1.491 . . . . 0.0 113.702 169.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.4 mm -63.68 -41.2 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 CA-C-N 119.58 1.082 . . . . 0.0 113.225 174.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.8 m -56.44 -44.17 80.17 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 171.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -80.86 -8.21 59.66 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 172.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.0 mm -100.72 -70.44 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 CA-C-N 120.615 1.552 . . . . 0.0 109.365 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -63.62 -11.55 26.04 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 118.438 2.755 . . . . 0.0 118.438 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -134.3 71.84 1.46 Allowed 'General case' 0 CA--C 1.562 1.425 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 156.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.0 t -77.05 148.91 35.88 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.434 -0.791 . . . . 0.0 112.346 175.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.91 18.79 0.58 Allowed 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 117.251 2.315 . . . . 0.0 117.251 168.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -59.73 2.65 Favored 'General case' 0 CA--C 1.563 1.479 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 149.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.8 m -102.21 92.51 4.77 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 122.916 1.341 . . . . 0.0 109.958 -176.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.77 -38.06 8.83 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 113.914 -1.494 . . . . 0.0 112.79 162.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -80.63 -40.82 24.97 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 170.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . 0.28 30.6 tpp -65.63 -24.45 67.05 Favored 'General case' 0 CA--C 1.566 1.571 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 166.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -74.73 -34.92 62.63 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 122.232 2.287 . . . . 0.0 115.312 163.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -58.07 -43.06 86.77 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 163.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -64.12 -39.49 94.15 Favored 'General case' 0 CA--C 1.566 1.562 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 169.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.89 -35.21 77.68 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 121.475 1.943 . . . . 0.0 114.187 174.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.1 m -67.14 -47.55 70.72 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 168.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -63.03 -40.72 98.56 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 174.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 36.5 m -66.79 -42.42 86.01 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.227 1.011 . . . . 0.0 113.648 172.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -56.9 -48.0 79.23 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 168.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -62.14 -34.54 76.56 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 171.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -58.57 -47.73 83.3 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 t -68.63 -51.71 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 CA-C-N 118.865 0.757 . . . . 0.0 112.167 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -62.64 -51.81 65.81 Favored 'General case' 0 CA--C 1.561 1.39 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -173.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.31 -9.24 31.07 Favored 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 174.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -89.58 -57.64 2.8 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 120.246 1.385 . . . . 0.0 111.383 162.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.8 mt -100.29 -68.64 0.8 Allowed 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 124.034 0.934 . . . . 0.0 112.571 -164.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 98.4 11.69 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 119.374 0.988 . . . . 0.0 109.218 -172.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.292 4.7 mp 65.33 89.18 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 C-N-CA 124.469 1.107 . . . . 0.0 109.319 -174.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . 0.273 5.6 p-10 -68.06 -59.58 3.14 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -173.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.7 m . . . . . 0 N--CA 1.491 1.616 0 C-N-CA 124.503 1.121 . . . . 0.0 112.843 174.796 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 CA--C 1.572 1.815 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -87.7 85.0 0.76 Allowed 'Trans proline' 0 CA--C 1.561 1.863 0 C-N-CA 123.17 2.58 . . . . 0.0 110.353 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -146.41 130.66 17.51 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -165.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 5' ' ' SER 0.341 10.0 p -100.56 -148.0 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.619 0 C-N-CA 123.312 0.645 . . . . 0.0 109.583 178.066 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.425 ' H ' HG23 ' A' ' 4' ' ' VAL . 42.2 m 51.57 38.65 22.96 Favored 'General case' 0 N--CA 1.503 2.191 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -156.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -172.9 -70.41 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 -162.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 0.275 . . 76.62 -33.45 0.21 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 117.122 2.267 . . . . 0.0 117.122 -175.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.74 -28.64 0.97 Allowed 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.88 1.272 . . . . 0.0 112.748 178.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.7 -50.47 66.84 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 120.338 1.427 . . . . 0.0 113.655 171.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -68.42 -51.85 39.37 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 118.216 -0.897 . . . . 0.0 112.979 163.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.23 66.12 3.42 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-N 119.478 1.036 . . . . 0.0 112.663 -178.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.292 0.0 OUTLIER -100.26 -50.87 3.81 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.299 1.04 . . . . 0.0 112.302 159.309 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.51 -49.11 13.96 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 119.961 1.255 . . . . 0.0 113.256 170.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -71.13 -24.41 62.27 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 115.783 1.772 . . . . 0.0 115.783 171.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.69 -51.13 60.85 Favored Glycine 0 N--CA 1.49 2.291 0 CA-C-N 120.323 1.419 . . . . 0.0 115.428 164.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -57.14 -34.31 68.28 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 166.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.1 m -61.68 -54.88 36.76 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 119.709 1.141 . . . . 0.0 112.728 171.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.363 1.6 pp -70.6 -6.51 37.2 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 119.817 3.266 . . . . 0.0 119.817 173.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -73.92 -49.69 23.6 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.235 1.014 . . . . 0.0 112.764 163.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.62 -38.47 91.26 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 169.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -60.21 -49.85 75.98 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 172.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.61 80.61 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 170.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -59.12 -47.71 84.26 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 168.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -63.32 -44.43 94.97 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 171.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.59 -36.36 70.82 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.0 mt -70.61 -48.52 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 CA-C-N 120.107 1.321 . . . . 0.0 111.406 173.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 t -57.45 -26.88 61.87 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 117.622 2.452 . . . . 0.0 117.622 168.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -80.04 -40.77 27.06 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 123.629 0.772 . . . . 0.0 112.899 171.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.263 9.8 mm -68.05 -82.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 124.779 1.232 . . . . 0.0 110.026 175.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 46.98 56.96 6.13 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -167.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.254 9.1 tt0 54.14 74.18 0.35 Allowed 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.842 1.257 . . . . 0.0 113.641 -166.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.5 t 71.95 153.54 0.13 Allowed 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 175.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.541 0.0 OUTLIER 127.44 -42.01 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 127.443 2.297 . . . . 0.0 113.054 -175.814 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -73.98 -38.28 64.21 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 154.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.7 m -79.97 -110.49 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.394 0 CA-C-O 117.515 -1.231 . . . . 0.0 109.54 170.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.267 . . 71.18 -66.48 0.29 Allowed 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.976 1.262 . . . . 0.0 113.922 -174.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -69.73 -38.11 76.75 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 161.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 89.6 mmm -68.95 0.61 4.26 Favored 'General case' 0 CA--C 1.575 1.938 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 168.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -122.57 -63.37 1.28 Allowed 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 121.272 1.851 . . . . 0.0 112.091 172.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -68.9 -57.21 5.83 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 113.769 1.025 . . . . 0.0 113.769 -175.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 55.5 t90 -62.53 -32.18 73.08 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 167.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -58.45 -37.12 74.78 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 120.517 1.508 . . . . 0.0 113.911 171.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.8 p -84.05 72.13 10.5 Favored 'General case' 0 CA--C 1.564 1.513 0 CA-C-O 121.855 0.836 . . . . 0.0 111.778 169.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 171.52 -69.46 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 -169.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 m -93.87 70.66 4.04 Favored 'General case' 0 CA--C 1.572 1.803 0 CA-C-O 123.023 1.392 . . . . 0.0 108.144 168.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -91.37 -64.0 1.18 Allowed 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.937 -169.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -32.4 72.57 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 116.039 1.866 . . . . 0.0 116.039 175.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -62.86 -45.91 90.33 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 174.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.07 -48.48 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 CA-C-N 119.156 0.889 . . . . 0.0 112.86 167.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -66.21 -39.18 89.43 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 115.802 1.778 . . . . 0.0 115.802 -170.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -64.49 -27.39 68.95 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 162.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -71.13 -65.02 0.8 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.281 1.033 . . . . 0.0 112.257 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -91.94 126.07 36.88 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 119.413 1.006 . . . . 0.0 108.36 169.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.467 0.6 OUTLIER 55.92 -173.17 0.06 Allowed 'General case' 0 N--CA 1.498 1.975 0 CA-C-N 120.906 1.685 . . . . 0.0 115.059 -167.611 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.251 97.3 mt -113.74 -79.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -87.83 -80.07 0.27 Allowed 'General case' 0 N--CA 1.489 1.482 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.012 -175.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -178.332 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 45.0 p . . . . . 0 CA--C 1.569 1.676 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.52 80.94 2.43 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 C-N-CA 123.295 2.663 . . . . 0.0 112.215 169.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 p30 177.22 146.7 0.11 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.446 1.099 . . . . 0.0 108.682 -167.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.363 9.7 p -114.94 -129.93 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 176.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m 54.33 55.1 8.53 Favored 'General case' 0 N--CA 1.498 1.928 0 C-N-CA 124.204 1.002 . . . . 0.0 113.577 -156.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.269 9.8 t 54.55 60.85 3.29 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -165.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -137.92 -44.39 0.52 Allowed 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.32 1.048 . . . . 0.0 111.442 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -22.08 66.75 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 155.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.94 -52.74 32.6 Favored 'General case' 0 CA--C 1.568 1.654 0 CA-C-N 120.239 1.381 . . . . 0.0 113.457 163.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -76.6 -53.36 8.14 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -173.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.25 -54.14 13.99 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 117.845 -1.074 . . . . 0.0 112.396 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.523 65.7 pttt 68.75 -76.44 0.06 Allowed 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 167.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.32 -48.13 52.39 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 168.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -63.48 -41.25 98.58 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 167.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.27 -49.02 70.83 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 116.726 1.45 . . . . 0.0 116.726 171.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -69.46 -31.48 69.81 Favored 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 116.382 1.993 . . . . 0.0 116.382 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.9 m -65.12 -67.08 0.47 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 120.811 1.641 . . . . 0.0 112.241 -174.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.269 0.8 OUTLIER -70.4 -1.15 9.79 Favored 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 119.109 3.003 . . . . 0.0 119.109 173.689 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -76.15 -57.69 3.72 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.785 1.234 . . . . 0.0 111.842 162.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.5 -35.12 79.93 Favored 'General case' 0 CA--C 1.567 1.61 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 172.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -61.32 -51.1 70.26 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 172.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.69 -38.64 88.56 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.04 -51.18 70.3 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 119.274 0.943 . . . . 0.0 113.205 170.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -54.36 -36.04 63.42 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 170.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.33 -64.87 0.83 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.715 1.143 . . . . 0.0 112.049 174.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.81 -40.1 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 CA-C-N 120.448 1.476 . . . . 0.0 113.912 -172.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 t -59.66 -38.28 81.03 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 121.161 1.801 . . . . 0.0 115.818 172.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -71.14 -40.62 71.28 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 168.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.258 79.5 mt -78.49 -93.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 125.133 1.373 . . . . 0.0 107.375 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.259 21.7 tptt 56.35 2.87 0.09 Allowed 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 119.406 3.114 . . . . 0.0 119.406 -169.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -161.23 -8.02 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.2 1.4 . . . . 0.0 114.625 -159.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.6 t -151.4 101.26 2.81 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 121.492 1.951 . . . . 0.0 111.343 -164.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.359 26.7 tt0 69.06 -9.07 0.62 Allowed 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 117.661 2.467 . . . . 0.0 117.661 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tt -70.73 -51.81 24.94 Favored 'General case' 0 CA--C 1.567 1.628 0 O-C-N 120.826 -1.171 . . . . 0.0 107.969 141.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 m -161.02 105.57 1.35 Allowed 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 -169.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.44 -34.88 28.0 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -69.73 -24.74 63.59 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 169.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . 0.283 0.6 OUTLIER -59.81 -19.67 52.2 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 162.554 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -58.81 -53.36 59.27 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 120.359 1.436 . . . . 0.0 114.585 168.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.74 -37.0 80.3 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 170.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -59.43 -43.83 93.01 Favored 'General case' 0 CA--C 1.567 1.63 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 168.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -64.36 -35.26 80.29 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 120.947 1.703 . . . . 0.0 114.387 174.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.6 m -64.46 -45.27 88.16 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 167.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.18 -47.11 87.65 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 173.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.8 m -74.06 -57.26 4.08 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.256 1.022 . . . . 0.0 112.788 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -64.01 -45.23 89.88 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -61.77 -32.61 72.89 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 115.778 1.769 . . . . 0.0 115.778 172.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -61.05 -43.12 99.36 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 167.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.79 -45.16 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 CA-C-N 119.398 0.999 . . . . 0.0 112.992 167.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -60.18 -40.78 91.22 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -50.88 -34.74 29.47 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 167.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -86.17 -62.99 1.39 Allowed 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 124.048 0.939 . . . . 0.0 111.617 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.8 mp -89.47 -52.58 4.95 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 125.039 1.335 . . . . 0.0 113.941 -171.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.318 29.3 mmtp 91.25 96.98 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 126.174 1.79 . . . . 0.0 109.507 -175.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mp -127.58 108.18 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 104.494 -2.41 . . . . 0.0 104.494 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.46 -64.65 0.81 Allowed 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 118.341 -0.837 . . . . 0.0 110.829 -179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 CA--C 1.576 1.957 0 CA-C-O 117.697 -1.144 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -79.55 103.63 1.62 Allowed 'Trans proline' 0 CA--C 1.561 1.837 0 C-N-CA 122.999 2.466 . . . . 0.0 110.963 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.336 12.4 m-20 71.25 -92.84 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 124.156 0.983 . . . . 0.0 110.957 -170.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.266 1.4 p -131.73 -60.92 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 123.456 0.702 . . . . 0.0 110.169 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m 54.04 51.25 14.98 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.254 15.7 t 52.18 62.32 2.76 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -167.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -101.81 -61.93 1.32 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.699 0.8 . . . . 0.0 110.235 171.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.99 -27.94 66.16 Favored 'General case' 0 CA--C 1.565 1.525 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 169.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -63.09 -52.11 63.96 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 119.996 1.271 . . . . 0.0 114.137 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -59.9 -30.29 68.92 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 171.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.8 mt -72.65 -42.38 64.42 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -69.3 -30.21 68.23 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 170.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -78.11 -48.23 16.47 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 119.71 1.141 . . . . 0.0 112.749 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -83.87 79.06 9.61 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.133 0.968 . . . . 0.0 109.237 163.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 172.71 -66.43 0.12 Allowed Glycine 0 CA--C 1.543 1.8 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 -166.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -59.06 -38.71 80.02 Favored 'General case' 0 CA--C 1.567 1.633 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 164.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.7 m -60.97 -58.67 7.47 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 119.419 1.009 . . . . 0.0 112.041 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.64 32.6 0.3 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 170.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -91.43 -66.02 0.96 Allowed 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 124.372 1.069 . . . . 0.0 108.746 158.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.18 -40.34 86.55 Favored 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -63.73 -37.0 85.73 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 173.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.8 96.37 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 167.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -54.75 -32.41 59.84 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 166.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -62.73 -39.25 93.51 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 167.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.06 -32.3 73.4 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 167.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.2 mm -64.92 -50.94 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 CA-C-N 120.924 1.693 . . . . 0.0 112.022 172.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.0 p -57.18 -43.08 82.3 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -57.15 -42.3 80.76 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 168.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.8 mm -61.47 -63.14 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 C-N-CA 124.664 1.186 . . . . 0.0 112.988 174.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -65.97 -2.93 4.44 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 119.693 3.22 . . . . 0.0 119.693 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -115.71 -19.21 10.61 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 115.818 1.784 . . . . 0.0 115.818 172.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.1 t -148.01 133.52 18.7 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.977 1.311 . . . . 0.0 108.087 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.563 5.2 pt-20 72.54 -23.78 0.2 Allowed 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 119.184 3.031 . . . . 0.0 119.184 -173.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.5 tp -72.9 -46.23 53.81 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 119.755 1.162 . . . . 0.0 110.868 144.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.6 m -76.29 -112.13 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 117.41 -1.281 . . . . 0.0 109.808 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.255 . . 66.31 -64.6 0.21 Allowed 'General case' 0 N--CA 1.506 2.357 0 CA-C-N 120.24 1.382 . . . . 0.0 114.624 -170.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -68.13 -40.83 82.36 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 123.981 0.912 . . . . 0.0 113.289 161.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 86.7 mmm -71.86 5.35 2.64 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 116.806 2.15 . . . . 0.0 116.806 169.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.8 ttp85 -135.07 -71.01 0.48 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 120.674 1.579 . . . . 0.0 110.749 -171.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.34 -53.74 26.88 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 50.4 t90 -60.95 -35.88 77.9 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 166.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -60.37 -44.91 95.15 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-N 120.902 1.683 . . . . 0.0 114.09 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.2 p -63.64 -40.61 97.32 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 171.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -63.84 -43.82 95.02 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 172.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.2 m -89.33 -58.64 2.46 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 117.712 -1.137 . . . . 0.0 112.191 -170.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -42.18 122.41 2.15 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 126.9 2.08 . . . . 0.0 116.01 -166.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.357 52.5 mt-30 114.31 -54.05 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 CA-C-N 110.889 -2.869 . . . . 0.0 109.774 -152.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -66.8 -34.33 77.57 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 162.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.23 -35.55 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-N 120.321 1.419 . . . . 0.0 113.315 162.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -68.66 -41.26 79.58 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 120.31 1.414 . . . . 0.0 114.474 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -56.3 -39.98 73.6 Favored 'General case' 0 CA--C 1.566 1.591 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 158.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.41 ' HG3' ' H ' ' A' ' 56' ' ' ASP . 81.7 tttt -106.69 62.94 0.64 Allowed 'General case' 0 CA--C 1.564 1.503 0 C-N-CA 124.148 0.979 . . . . 0.0 111.225 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.3 mp -47.13 -52.48 15.34 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 176.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -115.67 -80.49 0.6 Allowed 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 163.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.02 106.12 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 173.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.41 ' H ' ' HG3' ' A' ' 52' ' ' LYS . 23.6 t70 -151.23 -88.64 0.06 Allowed 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.272 19.7 m . . . . . 0 N--CA 1.49 1.563 0 C-N-CA 124.917 1.287 . . . . 0.0 111.446 -176.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.429 ' H1 ' ' HD3' ' A' ' 2' ' ' PRO . 10.6 t . . . . . 0 CA--C 1.575 1.941 0 CA-C-O 118.545 -0.741 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.429 ' HD3' ' H1 ' ' A' ' 1' ' ' THR . 93.3 Cg_endo -87.71 131.95 2.88 Favored 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 122.99 2.46 . . . . 0.0 112.57 -175.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.371 11.6 t70 61.91 -96.6 0.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 173.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.385 9.9 p -136.59 -131.12 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 m 52.93 52.49 13.78 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -159.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 m 61.57 60.43 1.65 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -169.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.69 -40.31 25.64 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.18 -32.78 74.26 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 168.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.61 -46.31 90.74 Favored 'General case' 0 CA--C 1.568 1.661 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 165.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -64.77 -29.28 70.25 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 171.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -73.99 -41.43 61.93 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 173.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -69.18 -29.67 67.72 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 169.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -73.29 -52.63 13.25 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 118.103 -0.951 . . . . 0.0 112.422 169.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -86.36 79.87 8.88 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 122.216 1.007 . . . . 0.0 109.926 167.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 166.72 -43.68 0.26 Allowed Glycine 0 CA--C 1.547 2.094 0 CA-C-N 114.596 -1.184 . . . . 0.0 112.759 -171.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -55.89 -35.94 67.1 Favored 'General case' 0 CA--C 1.572 1.799 0 CA-C-N 119.497 1.648 . . . . 0.0 114.909 141.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 m -65.92 142.03 58.02 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 119.507 1.049 . . . . 0.0 109.333 154.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.365 3.0 mt 78.96 -29.46 0.15 Allowed 'General case' 0 N--CA 1.512 2.649 0 N-CA-C 118.08 2.622 . . . . 0.0 118.08 -171.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -91.14 -74.29 0.51 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.748 1.219 . . . . 0.0 111.796 172.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.87 -37.94 82.45 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 172.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -61.31 -37.73 84.3 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 170.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.22 75.26 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 166.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.8 ttm105 -85.13 69.45 10.78 Favored 'General case' 0 CA--C 1.568 1.635 0 CA-C-N 119.382 0.992 . . . . 0.0 110.656 171.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 171.83 -60.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 -162.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.2 tp -67.46 -48.0 68.45 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 170.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -67.44 -44.75 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 CA-C-O 118.003 -0.998 . . . . 0.0 111.769 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m -55.88 -37.7 69.19 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 172.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -69.34 -41.72 76.25 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 168.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.276 25.4 mm -73.49 -85.96 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 C-N-CA 124.684 1.194 . . . . 0.0 109.126 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? 54.05 63.93 2.01 Favored 'General case' 0 N--CA 1.499 2.025 0 C-N-CA 124.561 1.145 . . . . 0.0 113.235 -173.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.272 7.4 tt0 58.47 64.31 1.5 Allowed 'General case' 0 CA--C 1.567 1.632 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -166.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t 80.22 136.62 0.06 Allowed 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 125.631 1.572 . . . . 0.0 111.109 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -74.41 24.01 0.09 Allowed 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 170.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -92.28 -43.5 9.25 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.891 1.276 . . . . 0.0 109.102 156.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.588 ' HG ' ' H ' ' A' ' 36' ' ' ALA . 3.2 t -67.06 -160.03 0.02 OUTLIER 'General case' 0 CA--C 1.574 1.903 0 CA-C-O 121.465 0.65 . . . . 0.0 112.753 148.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.588 ' H ' ' HG ' ' A' ' 35' ' ' SER . . . 64.37 -53.16 0.28 Allowed 'General case' 0 N--CA 1.505 2.321 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -149.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -71.16 -38.46 72.18 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 169.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.8 mmm -62.07 -44.48 96.58 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 165.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.9 -38.8 79.84 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.83 -40.39 88.3 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 164.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -65.47 -42.57 92.11 Favored 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 170.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -63.3 -38.47 91.28 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 120.987 1.721 . . . . 0.0 114.105 177.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -66.12 -45.46 81.01 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 169.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.87 -39.01 87.39 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 174.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.0 m -64.62 -42.09 95.74 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 119.476 1.034 . . . . 0.0 113.716 171.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -56.03 -47.82 77.12 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 115.008 1.485 . . . . 0.0 115.008 167.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -60.11 -34.64 73.78 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 168.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -62.83 -43.03 99.89 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 174.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 t -61.84 -43.69 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 CA-C-N 119.6 1.091 . . . . 0.0 113.212 167.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -65.2 -44.25 88.99 Favored 'General case' 0 CA--C 1.562 1.431 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -57.51 -36.11 71.13 Favored 'General case' 0 CA--C 1.566 1.593 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 163.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -112.52 49.76 0.91 Allowed 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 118.964 0.802 . . . . 0.0 112.222 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -78.28 164.36 24.94 Favored 'General case' 0 CA--C 1.567 1.627 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -176.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -84.26 111.44 19.39 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.2 pp -136.33 87.47 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -142.61 -92.73 0.13 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.259 34.2 m . . . . . 0 N--CA 1.491 1.601 0 C-N-CA 124.755 1.222 . . . . 0.0 112.279 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 49.3 m . . . . . 0 CA--C 1.568 1.654 0 CA-C-O 117.531 -1.223 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -77.37 107.34 2.38 Favored 'Trans proline' 0 CA--C 1.562 1.894 0 C-N-CA 122.802 2.334 . . . . 0.0 111.597 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -154.3 147.41 24.68 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 122.046 0.927 . . . . 0.0 110.826 -175.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.0 t -86.07 146.32 6.61 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.86 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.426 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -144.49 73.8 1.39 Allowed 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 172.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.257 40.8 m 47.83 44.37 18.03 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 117.067 2.247 . . . . 0.0 117.067 -164.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.39 -55.79 3.52 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.435 0.694 . . . . 0.0 111.871 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.2 -41.74 99.22 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 168.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -56.68 -50.22 72.76 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.39 -40.83 95.8 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 170.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.39 -27.75 62.61 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 170.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -61.71 -54.69 39.23 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 120.903 1.683 . . . . 0.0 115.002 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.29 2.4 pm0 -74.07 -53.57 9.68 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -174.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.266 7.5 p90 -71.16 -22.87 61.99 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 172.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.87 -53.61 39.56 Favored Glycine 0 N--CA 1.49 2.252 0 CA-C-N 119.668 1.122 . . . . 0.0 114.795 165.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -56.14 -33.31 65.06 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 167.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 m -58.42 -51.85 68.09 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 119.468 1.031 . . . . 0.0 112.804 167.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.336 3.1 pp -75.45 4.47 7.34 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 119.177 3.029 . . . . 0.0 119.177 170.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -78.07 -60.65 2.29 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.88 0.872 . . . . 0.0 110.784 162.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -56.58 -43.77 80.38 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 171.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -63.02 -37.1 85.82 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 173.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.63 -49.83 61.07 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 173.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -61.55 -36.73 81.44 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 173.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.9 -50.06 72.35 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 117.208 -1.377 . . . . 0.0 114.095 166.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -93.38 45.77 1.18 Allowed 'General case' 0 CA--C 1.57 1.743 0 CA-C-N 120.453 1.479 . . . . 0.0 114.33 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.4 mt -123.62 -54.46 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 154.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.8 t -78.0 90.56 4.18 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-N 120.684 1.583 . . . . 0.0 109.589 167.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 148.82 -63.61 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 126.533 1.933 . . . . 0.0 106.143 -154.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.289 51.9 mt -74.22 -84.07 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.568 1.635 0 C-N-CA 124.406 1.082 . . . . 0.0 108.775 177.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm 55.56 60.24 3.44 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -176.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 50.33 45.02 26.5 Favored 'General case' 0 CA--C 1.575 1.94 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 -170.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.9 t -169.55 151.21 4.31 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.159 0.984 . . . . 0.0 109.01 -168.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.54 6.8 pt-20 69.3 -38.4 0.4 Allowed 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 118.947 2.943 . . . . 0.0 118.947 -175.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.5 -46.02 70.76 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 118.074 0.397 . . . . 0.0 111.143 149.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.672 ' HG ' ' HB2' ' A' ' 38' ' ' MET . 41.7 t -94.19 -126.3 0.11 Allowed 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 160.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 62.31 -49.41 0.17 Allowed 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 116.279 1.955 . . . . 0.0 116.279 -157.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -77.02 -45.03 28.64 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.751 1.221 . . . . 0.0 112.456 171.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.672 ' HB2' ' HG ' ' A' ' 35' ' ' SER . 95.4 mmm -60.25 -43.16 96.37 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 166.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -94.04 89.93 6.23 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 120.365 1.438 . . . . 0.0 108.217 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 151.04 -68.1 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 104.415 -2.439 . . . . 0.0 104.415 -151.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -57.8 -38.17 75.04 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 166.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -65.53 -41.17 93.38 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-N 120.223 1.374 . . . . 0.0 113.62 178.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.4 t -92.46 75.65 5.16 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 122.09 0.947 . . . . 0.0 110.247 169.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 174.02 -64.46 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 105.086 -2.19 . . . . 0.0 105.086 -166.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.7 m -65.75 -55.38 17.61 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 124.511 1.125 . . . . 0.0 112.496 169.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -96.07 114.81 26.55 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 123.01 1.386 . . . . 0.0 107.758 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.456 0.0 OUTLIER 126.72 -50.73 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 110.825 -2.898 . . . . 0.0 110.811 -153.069 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -35.94 82.39 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 161.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.6 t -58.54 -53.02 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 CA-C-N 119.758 1.163 . . . . 0.0 112.122 162.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -58.13 -49.5 76.77 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -172.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.67 -26.8 46.63 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 118.144 2.646 . . . . 0.0 118.144 171.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -86.5 -60.55 1.96 Allowed 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 118.922 0.783 . . . . 0.0 110.68 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -131.14 132.55 44.86 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 124.475 1.11 . . . . 0.0 108.145 171.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -78.6 109.11 12.51 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 120.69 1.587 . . . . 0.0 110.584 -171.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.6 mt -119.63 110.27 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 N-CA-C 103.992 -2.596 . . . . 0.0 103.992 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -74.03 -63.85 1.13 Allowed 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 118.442 -0.789 . . . . 0.0 113.026 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.1 p . . . . . 0 N--CA 1.487 1.391 0 CA-C-N 119.705 1.139 . . . . 0.0 111.914 176.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.368 6.3 t . . . . . 0 CA--C 1.572 1.796 0 N-CA-C 117.508 2.411 . . . . 0.0 117.508 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.58 107.6 1.4 Allowed 'Trans proline' 0 C--N 1.372 1.773 0 CA-C-N 125.834 3.119 . . . . 0.0 111.444 -172.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -133.21 121.25 22.24 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -172.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.432 ' CG1' ' H ' ' A' ' 5' ' ' SER 0.263 11.5 p -84.29 -76.78 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.636 0.774 . . . . 0.0 110.869 -176.471 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.432 ' H ' ' CG1' ' A' ' 4' ' ' VAL . 10.6 t 52.24 55.09 9.68 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -170.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 m 57.4 66.19 1.2 Allowed 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.277 1.031 . . . . 0.0 113.653 -172.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.73 -63.48 1.4 Allowed 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.544 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.8 mt -73.24 -18.84 61.19 Favored 'General case' 0 CA--C 1.565 1.555 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 172.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -73.73 -54.92 6.97 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-N 120.59 1.541 . . . . 0.0 112.94 172.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.88 -55.59 18.46 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-N 119.179 0.9 . . . . 0.0 113.153 173.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mp -92.13 78.33 5.22 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 171.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -80.75 -51.57 8.5 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 175.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.04 -37.57 61.66 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 174.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -69.89 -39.81 76.03 Favored 'General case' 0 CA--C 1.564 1.513 0 CA-C-N 119.658 1.117 . . . . 0.0 113.802 170.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.77 -49.51 70.06 Favored Glycine 0 N--CA 1.492 2.396 0 CA-C-N 119.983 1.265 . . . . 0.0 115.984 167.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -53.49 -31.61 46.66 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 117.254 2.316 . . . . 0.0 117.254 167.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.4 m -62.59 -61.68 2.26 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-N 119.999 1.272 . . . . 0.0 112.397 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.298 2.3 pt? -78.5 4.12 14.15 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 119.209 3.04 . . . . 0.0 119.209 176.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.84 -56.71 3.94 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.189 0.996 . . . . 0.0 111.502 163.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.22 -40.21 95.59 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 172.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -60.59 -47.89 84.19 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.12 96.62 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 171.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -57.21 -45.67 83.59 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 168.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.31 -21.22 66.68 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 116.991 2.219 . . . . 0.0 116.991 172.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.19 -39.99 95.16 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 120.741 1.61 . . . . 0.0 115.11 169.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mp -66.6 -46.59 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 CA-C-N 120.821 1.646 . . . . 0.0 112.443 173.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.1 p -59.58 -30.0 68.35 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 170.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -67.19 -40.18 86.47 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 163.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.296 75.7 mt -81.22 -93.62 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.457 0 C-N-CA 125.025 1.33 . . . . 0.0 107.515 -177.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.296 75.8 mmtt 56.46 -10.48 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 120.612 3.56 . . . . 0.0 120.612 -164.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -147.82 -88.33 0.09 Allowed 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 104.58 -2.378 . . . . 0.0 104.58 -172.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.2 t -163.48 82.91 0.47 Allowed 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 164.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.369 11.3 pt-20 34.65 32.02 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 N-CA-C 120.426 3.491 . . . . 0.0 120.426 -158.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.4 tt -83.5 -54.5 4.91 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.214 1.005 . . . . 0.0 109.974 169.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.4 t -71.45 -8.39 53.57 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 120.677 3.584 . . . . 0.0 120.677 -166.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.42 -28.11 11.98 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 122.451 2.387 . . . . 0.0 117.051 151.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -70.82 -46.86 62.01 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 123.706 0.803 . . . . 0.0 113.091 167.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 80.4 mmm -58.52 -24.8 61.46 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 169.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -74.32 134.96 42.55 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 121.107 1.776 . . . . 0.0 110.112 166.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.352 18.0 mm-40 103.26 -61.61 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.772 0 C-N-CA 125.048 1.339 . . . . 0.0 108.828 -159.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -60.12 -38.77 84.01 Favored 'General case' 0 CA--C 1.567 1.597 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 168.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -63.14 -39.79 95.71 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 120.622 1.556 . . . . 0.0 114.254 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.5 m -66.96 -44.27 80.98 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 171.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -52.0 -50.37 61.48 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 166.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.7 m -88.35 20.06 3.49 Favored 'General case' 0 CA--C 1.573 1.851 0 C-N-CA 124.799 1.239 . . . . 0.0 113.875 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -81.61 102.43 10.65 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 124.456 2.074 . . . . 0.0 110.105 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.324 12.5 pt20 156.67 -61.3 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 109.192 -3.64 . . . . 0.0 107.41 -157.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -79.18 -43.02 24.74 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 119.076 0.853 . . . . 0.0 112.97 168.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.2 t -56.2 -43.59 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 C-N-CA 124.219 1.008 . . . . 0.0 113.495 162.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -61.03 -52.4 65.14 Favored 'General case' 0 CA--C 1.562 1.429 0 N-CA-C 114.501 1.296 . . . . 0.0 114.501 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.3 -26.45 64.98 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 117.63 2.456 . . . . 0.0 117.63 167.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -92.3 -42.51 9.78 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -175.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . 0.378 6.0 mp 85.09 -83.45 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.073 0 C-N-CA 125.176 1.39 . . . . 0.0 109.865 -175.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.263 35.1 mtmm 75.93 148.16 0.1 Allowed 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 124.553 1.141 . . . . 0.0 113.261 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.8 tp -59.9 -32.09 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.768 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 171.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.53 -81.19 0.06 Allowed 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 119.415 1.007 . . . . 0.0 110.202 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.6 p . . . . . 0 N--CA 1.486 1.343 0 CA-C-N 119.138 0.881 . . . . 0.0 108.807 168.115 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 CA--C 1.571 1.774 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.73 115.91 4.43 Favored 'Trans proline' 0 CA--C 1.562 1.912 0 C-N-CA 123.117 2.544 . . . . 0.0 111.224 174.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.2 t70 56.89 95.34 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.865 1.266 . . . . 0.0 113.402 -168.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.46 ' CG1' ' H ' ' A' ' 5' ' ' SER 0.288 14.3 p -82.64 -83.56 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.952 -168.761 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.46 ' H ' ' CG1' ' A' ' 4' ' ' VAL . 11.5 t 51.9 57.07 6.91 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -168.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m 58.58 63.07 1.78 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -172.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.14 -58.77 2.99 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.66 -8.44 57.26 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 172.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -83.03 -58.47 2.85 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 120.803 1.638 . . . . 0.0 111.825 169.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -64.78 -54.5 30.22 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-N 119.451 1.023 . . . . 0.0 113.448 175.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.0 mt -98.24 79.77 2.59 Favored 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 172.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -74.99 -52.82 10.15 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.7 -46.08 59.85 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 168.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -74.01 -34.55 64.2 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.91 -22.64 78.71 Favored Glycine 0 CA--C 1.552 2.389 0 N-CA-C 117.225 1.65 . . . . 0.0 117.225 164.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -81.76 -152.34 0.1 Allowed 'General case' 0 CA--C 1.58 2.127 0 CA-C-N 119.572 1.686 . . . . 0.0 109.436 155.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.44 24.9 m 67.75 -87.2 0.03 OUTLIER 'General case' 0 CA--C 1.565 1.541 0 O-C-N 120.492 -1.38 . . . . 0.0 113.784 169.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -70.66 -3.46 18.52 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 119.055 2.983 . . . . 0.0 119.055 168.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.8 -56.71 4.41 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 124.836 1.254 . . . . 0.0 112.035 166.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.63 -42.04 98.33 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -56.55 -46.17 80.84 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.73 -49.1 72.15 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -57.88 -38.65 76.16 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 170.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -63.38 -44.74 93.89 Favored 'General case' 0 CA--C 1.567 1.617 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 169.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.9 mp -71.47 -48.75 47.26 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.41 -45.01 99.8 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.832 0 CA-C-O 117.436 -1.269 . . . . 0.0 112.488 175.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.9 p -56.43 -39.07 72.46 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 117.041 2.238 . . . . 0.0 117.041 171.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -65.99 -48.92 69.61 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 170.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.312 1.7 mp -71.77 -78.76 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.537 0 C-N-CA 124.81 1.244 . . . . 0.0 109.78 -177.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 54.11 64.0 1.98 Allowed 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 124.356 1.062 . . . . 0.0 113.173 -172.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.251 8.3 tt0 57.27 64.71 1.54 Allowed 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 124.606 1.162 . . . . 0.0 114.0 -170.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -137.73 -93.73 0.21 Allowed 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 117.707 -1.139 . . . . 0.0 110.024 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -71.26 0.4 8.04 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 166.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -72.9 -49.32 30.36 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.939 -1.101 . . . . 0.0 111.214 155.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.2 m -84.26 -103.63 0.05 OUTLIER 'General case' 0 CA--C 1.558 1.279 0 CA-C-O 117.361 -1.304 . . . . 0.0 110.134 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.297 . . 74.78 -68.75 0.2 Allowed 'General case' 0 N--CA 1.505 2.28 0 CA-C-N 120.165 1.348 . . . . 0.0 112.766 -175.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -68.69 -45.42 71.7 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 118.418 -0.801 . . . . 0.0 112.845 162.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 89.7 mmm -61.2 -29.93 70.11 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 170.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.7 mmm-85 -63.15 -36.56 84.02 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 121.407 1.912 . . . . 0.0 115.641 170.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -59.69 -45.54 91.79 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 165.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -60.62 -38.21 83.99 Favored 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 168.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -66.87 -36.05 81.42 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 121.251 1.841 . . . . 0.0 113.947 172.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.7 p -84.47 73.37 10.52 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 123.633 0.773 . . . . 0.0 111.245 171.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 161.01 -68.51 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 -156.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.5 m -96.98 -11.99 23.89 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -169.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -83.61 105.32 14.43 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 121.674 2.034 . . . . 0.0 109.048 -174.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.321 12.9 pt20 157.3 -59.35 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 109.556 -3.475 . . . . 0.0 107.446 -153.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -69.21 -53.99 17.13 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-N 119.239 0.927 . . . . 0.0 112.206 162.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -53.01 -45.07 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 170.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -58.86 -41.49 87.15 Favored 'General case' 0 CA--C 1.565 1.536 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 176.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.29 -22.28 66.82 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 169.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -79.34 -46.26 18.02 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 120.302 1.41 . . . . 0.0 112.842 169.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.53 -50.85 69.72 Favored 'General case' 0 CA--C 1.565 1.532 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -69.73 -36.02 75.5 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 173.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.303 23.5 mm 73.87 99.69 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 125.202 1.401 . . . . 0.0 108.542 -171.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -73.17 -70.95 0.33 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 118.547 -0.739 . . . . 0.0 112.0 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 N--CA 1.483 1.216 0 CA-C-N 119.058 0.845 . . . . 0.0 109.818 175.361 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 CA--C 1.574 1.874 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -87.79 98.38 0.43 Allowed 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 122.88 2.387 . . . . 0.0 110.729 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -94.56 116.51 28.86 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -171.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.481 HG12 ' H ' ' A' ' 5' ' ' SER 0.332 14.8 p -138.27 -113.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -170.268 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.481 ' H ' HG12 ' A' ' 4' ' ' VAL . 48.5 m 50.26 46.53 24.84 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -164.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 m -157.98 -62.83 0.09 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.596 1.159 . . . . 0.0 108.669 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.54 88.11 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 160.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.84 -36.78 79.99 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 164.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -52.26 -51.02 60.86 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 168.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -94.63 64.05 2.96 Favored 'General case' 0 CA--C 1.566 1.578 0 CA-C-O 121.63 0.728 . . . . 0.0 111.575 167.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 tp -135.53 -68.11 0.52 Allowed 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 168.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -48.97 77.06 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 169.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -95.39 77.11 3.39 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 121.748 0.785 . . . . 0.0 109.245 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -156.8 -52.55 0.08 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.372 1.069 . . . . 0.0 109.481 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.74 -42.49 93.14 Favored Glycine 0 CA--C 1.554 2.522 0 CA-C-N 120.393 1.451 . . . . 0.0 115.267 158.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.03 -28.07 66.07 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 165.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.9 m -62.5 -59.47 4.91 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.046 1.294 . . . . 0.0 112.867 177.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.282 2.3 pt? -75.71 2.85 10.98 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 118.786 2.884 . . . . 0.0 118.786 171.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -77.94 -58.28 3.35 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.144 0.977 . . . . 0.0 111.077 163.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -61.72 -43.46 98.8 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 174.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -55.19 -50.03 70.41 Favored 'General case' 0 CA--C 1.565 1.532 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 171.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.96 96.38 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 172.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -58.33 -45.4 88.16 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 170.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.92 -42.86 99.58 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 170.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.1 -52.51 41.04 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 119.491 1.041 . . . . 0.0 113.658 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.05 -47.53 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 CA-C-O 117.901 -1.047 . . . . 0.0 113.022 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.8 m -60.04 -39.67 86.71 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.6 ttp-105 -66.59 -39.64 88.52 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 169.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.282 25.5 mm -72.73 -87.59 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 124.979 1.311 . . . . 0.0 109.179 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 52.31 15.21 0.44 Allowed 'General case' 0 N--CA 1.503 2.184 0 N-CA-C 118.686 2.847 . . . . 0.0 118.686 -169.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -149.81 -40.92 0.14 Allowed 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -161.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -126.75 105.42 8.66 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.979 0.912 . . . . 0.0 109.525 -173.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.38 18.9 tt0 78.33 -21.01 0.35 Allowed 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 117.542 2.423 . . . . 0.0 117.542 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.2 -49.2 52.67 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 119.858 1.208 . . . . 0.0 110.772 150.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.4 m -86.59 -108.23 0.06 Allowed 'General case' 0 CA--C 1.559 1.29 0 CA-C-O 117.464 -1.255 . . . . 0.0 109.521 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.284 . . 68.88 -67.52 0.21 Allowed 'General case' 0 N--CA 1.506 2.342 0 CA-C-N 120.085 1.312 . . . . 0.0 113.951 -169.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -73.39 -36.46 66.04 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 166.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 94.6 mmm -62.31 -35.73 79.94 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 164.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -54.87 -48.22 73.25 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 120.98 1.718 . . . . 0.0 114.7 169.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.49 -41.96 98.06 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 170.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -64.65 -40.49 95.53 Favored 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 173.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -65.43 -31.05 71.94 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 120.623 1.556 . . . . 0.0 114.35 175.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.7 m -66.8 -48.92 67.47 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 165.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -54.1 -42.29 69.23 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 172.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.6 m -83.48 -47.75 11.03 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 117.953 -1.022 . . . . 0.0 112.751 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -80.69 102.96 10.21 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 124.469 2.081 . . . . 0.0 109.627 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.336 9.5 pt20 161.34 -59.67 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 109.235 -3.62 . . . . 0.0 107.86 -159.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -67.73 -46.34 72.45 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 119.39 0.996 . . . . 0.0 113.002 161.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.5 t -60.35 -44.62 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 C-N-CA 123.753 0.821 . . . . 0.0 113.173 168.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -60.78 -52.36 65.41 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.84 -24.65 64.37 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 168.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -77.67 -60.2 2.46 Favored 'General case' 0 CA--C 1.562 1.421 0 CA-C-N 119.258 0.936 . . . . 0.0 112.136 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . 0.258 2.1 pt? -146.58 -36.12 0.25 Allowed 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -172.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.358 54.5 mtmt 79.65 -79.52 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 124.999 1.32 . . . . 0.0 110.5 -166.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.319 1.1 pp -133.86 -65.07 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 C-N-CA 124.013 0.925 . . . . 0.0 110.222 176.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -106.76 -90.64 0.42 Allowed 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 118.135 -0.936 . . . . 0.0 108.491 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.252 14.6 t . . . . . 0 N--CA 1.49 1.54 0 C-N-CA 124.77 1.228 . . . . 0.0 112.915 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 CA--C 1.575 1.908 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -73.67 117.56 5.1 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 122.945 2.43 . . . . 0.0 113.535 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -89.85 147.7 23.62 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.345 0.658 . . . . 0.0 111.187 -175.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.405 ' H ' ' H ' ' A' ' 7' ' ' ALA 0.431 93.9 t -107.29 -99.41 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-O 116.898 -1.525 . . . . 0.0 108.297 -172.477 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 t -91.49 64.83 5.11 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 122.128 2.24 . . . . 0.0 109.033 163.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m 50.3 46.8 24.65 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -156.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.405 ' H ' ' H ' ' A' ' 4' ' ' VAL . . . -75.48 -59.83 2.57 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -173.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 mp -78.14 7.9 5.6 Favored 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 171.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.8 -52.35 38.14 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 119.771 1.169 . . . . 0.0 113.302 173.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -64.39 -55.37 21.53 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 170.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.3 mt -89.88 74.68 7.35 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 118.836 0.744 . . . . 0.0 110.003 171.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -86.88 -36.96 18.12 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 174.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -43.77 97.93 Favored 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 164.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -92.49 80.79 4.85 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.235 1.017 . . . . 0.0 108.405 168.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.66 -62.32 0.18 Allowed Glycine 0 CA--C 1.54 1.596 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.615 -163.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.58 -43.2 99.4 Favored 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 168.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.253 9.2 t -61.34 -54.32 45.29 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 176.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -84.1 26.19 0.77 Allowed 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 116.838 2.162 . . . . 0.0 116.838 170.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -89.68 -61.83 1.61 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 123.961 0.904 . . . . 0.0 109.775 155.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -63.61 -44.89 92.65 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -62.33 -39.52 93.36 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 173.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.6 -49.32 73.79 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 173.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -56.67 -46.02 81.38 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 171.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.83 -37.41 76.38 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 168.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 tp -66.24 -32.31 73.65 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 171.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.0 mm -64.53 -45.37 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 CA-C-N 120.475 1.489 . . . . 0.0 112.305 168.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.0 m -55.35 -36.49 66.36 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -66.79 -46.85 73.93 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 166.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.258 80.0 mt -68.31 -79.7 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 C-N-CA 124.857 1.263 . . . . 0.0 110.371 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt 59.2 72.54 0.52 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.613 1.165 . . . . 0.0 112.491 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.326 5.7 tt0 76.37 -26.43 0.19 Allowed 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 117.838 2.532 . . . . 0.0 117.838 -174.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.7 p -65.6 164.11 14.88 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -172.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.573 0.2 OUTLIER 68.27 -30.23 0.17 Allowed 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 119.577 3.177 . . . . 0.0 119.577 -174.744 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.5 tp -73.46 -47.1 44.12 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 118.902 0.774 . . . . 0.0 110.398 142.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.9 m -83.34 -125.19 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 118.161 -0.923 . . . . 0.0 108.736 169.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.265 . . 66.47 -65.73 0.19 Allowed 'General case' 0 N--CA 1.505 2.312 0 CA-C-N 119.813 1.188 . . . . 0.0 113.397 -161.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -62.16 -40.42 95.91 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 161.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 89.4 mmm -69.55 -44.08 71.65 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 117.441 -1.266 . . . . 0.0 113.725 170.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -83.65 84.34 7.58 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 120.545 1.52 . . . . 0.0 109.652 172.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 159.05 -66.53 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 104.682 -2.34 . . . . 0.0 104.682 -158.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -57.35 -38.72 74.59 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 165.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -62.78 -38.26 89.95 Favored 'General case' 0 N--CA 1.503 2.179 0 CA-C-N 120.468 1.485 . . . . 0.0 114.029 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.2 t -67.25 -48.9 66.36 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 170.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.47 -40.28 95.4 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 176.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.9 m -64.13 -40.78 96.91 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 171.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.48 -51.85 68.14 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 168.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -55.41 -35.91 65.87 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 116.482 2.03 . . . . 0.0 116.482 171.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -57.89 -40.54 80.54 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 169.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 t -58.37 -49.61 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-N 119.421 1.01 . . . . 0.0 112.863 167.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HA ' ' H ' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -62.9 -48.5 78.71 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -178.15 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -53.46 -32.08 48.47 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 116.62 2.082 . . . . 0.0 116.62 169.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -81.89 -60.84 2.09 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 118.46 -0.781 . . . . 0.0 112.445 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . 0.279 0.9 OUTLIER -140.05 -42.1 0.43 Allowed 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -165.076 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -79.89 -57.84 3.46 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 120.116 1.325 . . . . 0.0 113.644 -165.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.454 ' H ' ' HA ' ' A' ' 50' ' ' LYS 0.328 63.3 mt 80.26 118.38 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 124.706 1.202 . . . . 0.0 109.225 172.636 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . 0.333 14.5 t70 76.29 -86.81 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.194 0 C-N-CA 124.514 1.125 . . . . 0.0 111.967 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 N--CA 1.487 1.376 0 C-N-CA 123.317 0.647 . . . . 0.0 111.006 -172.132 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 42.2 p . . . . . 0 CA--C 1.573 1.846 0 CA-C-O 118.373 -0.823 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.3 131.97 17.19 Favored 'Trans proline' 0 CA--C 1.561 1.836 0 C-N-CA 123.026 2.484 . . . . 0.0 112.862 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.344 11.7 m-20 72.62 -93.69 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 124.197 0.999 . . . . 0.0 111.243 -177.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.369 8.2 p -135.88 -146.61 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.335 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.25 10.8 t 59.88 60.19 2.24 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 124.154 0.982 . . . . 0.0 112.468 -151.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.261 8.9 t 67.12 68.71 0.4 Allowed 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.359 1.064 . . . . 0.0 112.891 -173.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.46 -59.78 0.19 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.938 0.895 . . . . 0.0 109.317 172.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.4 tp -68.34 -42.15 79.69 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 157.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -32.54 71.59 Favored 'General case' 0 CA--C 1.564 1.513 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 166.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -67.53 -62.46 1.41 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 120.024 1.284 . . . . 0.0 111.902 165.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.8 -34.07 62.28 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 117.684 2.475 . . . . 0.0 117.684 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -54.67 -34.09 61.73 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 117.403 2.371 . . . . 0.0 117.403 173.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -130.62 62.83 1.59 Allowed 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 121.675 0.75 . . . . 0.0 110.933 162.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -156.35 -57.11 0.09 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.616 -1.183 . . . . 0.0 108.563 174.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.42 -44.44 84.25 Favored Glycine 0 N--CA 1.492 2.432 0 CA-C-N 120.725 1.602 . . . . 0.0 115.125 164.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -54.84 -35.06 63.57 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 116.458 2.021 . . . . 0.0 116.458 164.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.7 m -60.94 -63.72 1.2 Allowed 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 117.266 -1.349 . . . . 0.0 112.384 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.3 2.0 pt? -73.72 1.19 10.87 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 175.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -81.07 -56.87 3.81 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 124.179 0.991 . . . . 0.0 111.908 166.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.08 -36.52 82.17 Favored 'General case' 0 CA--C 1.567 1.596 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 171.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -61.79 -46.06 91.18 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.42 84.44 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 116.358 1.984 . . . . 0.0 116.358 170.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 ttm105 -60.15 -47.8 84.42 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 170.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.88 -42.48 98.03 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 169.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.0 tp -58.33 -48.42 80.61 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 173.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.87 -35.73 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 C-N-CA 124.19 0.996 . . . . 0.0 113.637 172.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.2 m -58.12 -46.56 85.39 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 172.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -71.2 -49.66 41.22 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 172.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.267 1.7 mp -71.29 -74.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 C-N-CA 124.627 1.171 . . . . 0.0 109.747 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 tptp 55.79 59.44 3.81 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.768 1.227 . . . . 0.0 114.299 -177.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.256 54.8 mt-30 52.71 60.99 3.41 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -169.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -154.56 110.4 3.18 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.39 22.5 tt0 78.93 -26.22 0.18 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 -169.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -76.44 -42.44 43.94 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 119.305 0.957 . . . . 0.0 110.335 150.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.7 m -128.57 89.57 2.92 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 123.341 1.544 . . . . 0.0 109.69 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.6 -31.7 7.99 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 113.451 -1.704 . . . . 0.0 112.512 147.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -74.75 -41.88 59.29 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 170.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.3 mmm -62.82 -40.15 96.49 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 116.847 -1.549 . . . . 0.0 114.807 166.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -66.34 -41.94 88.85 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 121.55 1.977 . . . . 0.0 115.797 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.09 -40.21 92.86 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 166.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -60.82 -40.24 92.02 Favored 'General case' 0 CA--C 1.566 1.583 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 169.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -65.95 -35.83 81.67 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 121.129 1.786 . . . . 0.0 113.963 174.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -89.64 77.37 7.17 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.579 0.704 . . . . 0.0 109.951 168.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 164.37 -71.4 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 104.343 -2.466 . . . . 0.0 104.343 -161.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.6 m -92.59 66.96 4.58 Favored 'General case' 0 CA--C 1.572 1.81 0 CA-C-O 123.124 1.44 . . . . 0.0 109.001 168.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -92.1 -62.91 1.31 Allowed 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.725 -169.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -63.96 -36.24 83.32 Favored 'General case' 0 CA--C 1.566 1.568 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 174.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -60.71 -26.66 67.32 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 171.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.1 t -88.8 -54.64 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 CA-C-N 119.65 1.113 . . . . 0.0 110.82 166.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -65.95 -52.21 51.71 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 -165.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -75.2 -12.03 60.2 Favored 'General case' 0 CA--C 1.563 1.479 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 173.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -88.49 -45.77 9.66 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 120.705 1.593 . . . . 0.0 111.7 173.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.3 mt -91.03 85.61 5.99 Favored 'General case' 0 CA--C 1.564 1.502 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 169.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.44 -67.1 0.49 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.745 -0.597 . . . . 0.0 109.581 -171.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 93.7 mt -72.6 -57.28 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 C-N-CA 123.577 0.751 . . . . 0.0 109.782 171.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -54.37 -51.18 65.63 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 116.785 2.142 . . . . 0.0 116.785 173.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.164 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.366 6.2 t . . . . . 0 CA--C 1.573 1.834 0 N-CA-C 117.523 2.416 . . . . 0.0 117.523 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -83.73 110.15 1.6 Allowed 'Trans proline' 0 CA--C 1.56 1.802 0 CA-C-N 125.786 3.102 . . . . 0.0 111.609 -171.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -93.67 124.17 37.49 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.14 0.576 . . . . 0.0 109.616 -176.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 t -134.42 -48.72 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-O 117.708 -1.139 . . . . 0.0 111.198 -172.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -75.6 89.19 2.74 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 119.562 1.074 . . . . 0.0 111.354 -167.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.1 m 59.64 63.48 1.5 Allowed 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 113.864 -1.517 . . . . 0.0 113.484 -166.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.18 -62.4 1.45 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.297 0.639 . . . . 0.0 111.369 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.68 -39.36 88.08 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 171.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -50.9 -42.28 59.13 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 117.34 2.348 . . . . 0.0 117.34 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -68.11 -40.85 82.48 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.298 1.7 pt? -74.48 -34.21 63.05 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 174.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -65.81 -41.8 91.41 Favored 'General case' 0 N--CA 1.497 1.906 0 CA-C-N 120.699 1.59 . . . . 0.0 115.122 168.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.02 -32.17 73.5 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 168.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.39 -50.76 72.72 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 120.084 1.311 . . . . 0.0 113.479 167.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.18 -42.3 81.45 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 117.224 1.649 . . . . 0.0 117.224 170.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -59.39 -41.52 89.59 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 170.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.7 p -65.71 -58.22 6.21 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 117.209 -1.377 . . . . 0.0 113.87 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.359 1.4 pt? -75.68 -3.91 37.29 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 118.933 2.938 . . . . 0.0 118.933 177.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -75.83 -52.33 10.62 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.77 0.828 . . . . 0.0 112.488 160.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.83 -43.11 94.75 Favored 'General case' 0 CA--C 1.566 1.568 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 170.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -63.87 -40.66 97.08 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 173.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.81 97.44 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.68 1.734 . . . . 0.0 115.68 170.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -59.53 -43.24 93.51 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 168.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -56.07 -45.25 79.39 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 114.924 1.454 . . . . 0.0 114.924 167.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.66 -38.65 87.29 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 174.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.3 mt -62.7 -35.39 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 CA-C-N 119.594 1.088 . . . . 0.0 113.815 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.6 p -58.33 -39.92 80.73 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 169.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -71.59 -49.09 43.72 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 168.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.3 mm -73.09 -73.91 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 125.087 1.355 . . . . 0.0 110.73 -174.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.263 14.2 tptp 61.33 62.59 1.34 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.283 1.433 . . . . 0.0 113.73 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.301 6.2 tt0 51.77 59.71 4.37 Favored 'General case' 0 CA--C 1.565 1.557 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -170.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.7 m -58.64 -37.62 76.33 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 118.718 2.858 . . . . 0.0 118.718 172.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.372 11.2 tt0 66.44 3.06 2.68 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 117.467 2.395 . . . . 0.0 117.467 -161.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.3 tp -91.32 -51.28 5.37 Favored 'General case' 0 CA--C 1.561 1.4 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 146.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.9 m -112.76 131.73 55.55 Favored 'General case' 0 CA--C 1.556 1.197 0 CA-C-O 123.0 1.381 . . . . 0.0 108.049 166.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.34 . . 112.46 -47.62 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 113.134 -1.848 . . . . 0.0 108.618 -144.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -67.61 -36.03 80.07 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 153.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.9 mmm -78.93 5.84 10.64 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 117.203 2.297 . . . . 0.0 117.203 172.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.251 24.2 ptt85 -138.82 -56.73 0.62 Allowed 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 121.169 1.804 . . . . 0.0 112.698 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -70.35 -55.61 8.71 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 120.015 1.28 . . . . 0.0 112.8 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 49.8 t90 -64.16 -34.86 79.03 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 168.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -60.32 -40.35 90.27 Favored 'General case' 0 N--CA 1.5 2.055 0 CA-C-N 121.442 1.928 . . . . 0.0 114.425 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.8 t -61.9 -45.86 91.9 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 170.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -63.6 -36.54 84.15 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 116.534 2.05 . . . . 0.0 116.534 169.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.9 m -137.35 67.56 1.43 Allowed 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 123.282 1.515 . . . . 0.0 109.822 -165.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -148.0 -65.19 0.25 Allowed 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.145 169.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -71.08 -31.51 67.92 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 170.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -57.28 -43.46 83.15 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 165.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.41 -45.03 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 170.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -65.91 -42.99 89.47 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -61.56 -31.84 71.9 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 163.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -114.18 54.31 0.76 Allowed 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 119.47 1.032 . . . . 0.0 112.25 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.8 mt -81.14 119.27 23.37 Favored 'General case' 0 CA--C 1.568 1.635 0 O-C-N 121.169 -0.957 . . . . 0.0 109.436 171.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.45 149.44 17.07 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 119.838 1.199 . . . . 0.0 110.342 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.291 0.2 OUTLIER -66.36 -51.85 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 175.801 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -115.15 -93.37 0.49 Allowed 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.486 1.338 0 CA-C-N 119.689 1.131 . . . . 0.0 108.438 -179.13 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.368 6.2 t . . . . . 0 CA--C 1.573 1.853 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.66 111.22 1.73 Allowed 'Trans proline' 0 CA--C 1.56 1.804 0 CA-C-N 125.72 3.078 . . . . 0.0 111.599 -170.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -90.4 116.26 28.21 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -176.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.304 38.6 t -117.89 -79.01 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.462 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 -170.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t 50.5 61.68 3.09 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-N 120.585 1.539 . . . . 0.0 115.043 -174.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t 56.79 65.77 1.33 Allowed 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -170.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -136.46 -74.29 0.43 Allowed 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mp -100.52 55.38 0.89 Allowed 'General case' 0 CA--C 1.575 1.937 0 CA-C-O 123.426 1.584 . . . . 0.0 111.313 167.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -106.13 53.15 0.71 Allowed 'General case' 0 N--CA 1.504 2.247 0 CA-C-O 124.047 1.88 . . . . 0.0 113.573 -168.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt 51.24 50.88 18.07 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 111.764 -2.471 . . . . 0.0 114.652 -168.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.385 1.3 pt? 34.46 58.4 0.66 Allowed 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 118.172 2.656 . . . . 0.0 118.172 -166.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -72.41 -44.73 62.04 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 169.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.15 -50.91 13.31 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.816 1.246 . . . . 0.0 114.0 177.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -65.43 -42.16 92.74 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 172.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.2 -46.39 62.9 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 117.025 1.57 . . . . 0.0 117.025 170.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -61.34 -33.28 73.36 Favored 'General case' 0 CA--C 1.571 1.771 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 168.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.9 m -63.5 -60.0 3.92 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-N 119.955 1.252 . . . . 0.0 112.949 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.292 1.8 pt? -74.56 -0.12 16.69 Favored 'General case' 0 N--CA 1.502 2.125 0 N-CA-C 118.922 2.934 . . . . 0.0 118.922 172.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -76.25 -56.13 4.93 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 124.539 1.136 . . . . 0.0 111.832 163.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.45 -46.26 89.32 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 173.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -47.08 77.24 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 173.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.63 -31.0 72.03 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 169.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -61.88 -49.41 76.34 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 170.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.85 -38.84 92.33 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 171.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 mt -69.2 -47.33 65.14 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.74 -49.9 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 CA-C-O 117.545 -1.217 . . . . 0.0 111.594 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.9 m -81.3 87.67 6.12 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 120.443 1.474 . . . . 0.0 109.699 173.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 153.82 -63.48 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 105.79 -1.929 . . . . 0.0 105.79 -155.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.262 83.5 mt -69.34 -84.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 C-N-CA 125.184 1.393 . . . . 0.0 108.611 173.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.253 31.9 mmmt 56.27 11.59 0.83 Allowed 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 118.687 2.847 . . . . 0.0 118.687 -174.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -150.96 -44.91 0.12 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 124.552 1.141 . . . . 0.0 113.317 -161.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.1 t -111.03 103.08 11.51 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.985 0.914 . . . . 0.0 109.654 -176.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.37 19.8 tt0 76.97 -18.17 0.51 Allowed 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 117.442 2.386 . . . . 0.0 117.442 -176.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -71.22 -49.36 44.21 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 120.071 1.305 . . . . 0.0 110.737 153.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.3 t -85.2 -120.28 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.286 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 171.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 63.7 -47.42 0.26 Allowed 'General case' 0 N--CA 1.505 2.317 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -158.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -85.43 -38.68 18.39 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 124.316 1.046 . . . . 0.0 113.757 169.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 90.1 mmm -59.76 -28.38 67.34 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 116.757 -1.592 . . . . 0.0 114.883 163.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -84.04 114.53 21.8 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 121.932 2.151 . . . . 0.0 107.636 161.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.304 25.3 mt-10 126.68 -62.63 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.401 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 -152.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -62.56 -42.0 99.26 Favored 'General case' 0 CA--C 1.567 1.629 0 CA-C-O 116.971 -1.49 . . . . 0.0 114.661 165.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -64.64 -34.42 78.25 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 121.601 2.001 . . . . 0.0 114.355 175.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.2 p -68.22 -38.32 81.77 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 171.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -71.1 -54.22 11.88 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 168.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.0 m -90.33 65.93 6.38 Favored 'General case' 0 CA--C 1.573 1.847 0 CA-C-O 123.133 1.445 . . . . 0.0 109.963 175.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -88.97 -62.26 1.52 Allowed 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.905 -172.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -63.42 -33.94 76.65 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 176.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -59.85 -48.86 79.99 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 173.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.04 -52.31 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 CA-C-O 117.924 -1.036 . . . . 0.0 112.416 169.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -62.78 -31.71 72.73 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 118.114 2.635 . . . . 0.0 118.114 -165.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -58.9 -37.04 75.71 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 165.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -76.36 -42.18 45.63 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 169.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . 0.377 21.2 mt 98.39 -65.82 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 C-N-CA 126.008 1.723 . . . . 0.0 111.756 178.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 72.75 112.91 0.06 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 124.755 1.222 . . . . 0.0 111.169 -172.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.0 tp -65.98 -46.9 86.96 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.714 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 169.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -76.35 -76.09 0.17 Allowed 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 118.192 -0.909 . . . . 0.0 112.083 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.257 23.4 m . . . . . 0 N--CA 1.491 1.579 0 C-N-CA 124.694 1.198 . . . . 0.0 111.867 -174.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 CA--C 1.575 1.914 0 CA-C-O 117.798 -1.096 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.12 106.29 2.13 Favored 'Trans proline' 0 CA--C 1.56 1.797 0 C-N-CA 123.023 2.482 . . . . 0.0 111.438 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -95.2 116.77 29.18 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -174.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.25 74.2 t -114.41 -67.27 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.525 -169.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t 52.04 57.58 6.34 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -174.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m 52.97 60.3 3.88 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -170.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.99 -58.9 1.96 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.016 0.926 . . . . 0.0 110.418 173.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.57 -30.37 71.39 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 167.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -60.91 -47.53 85.97 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 172.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -70.02 -45.21 67.7 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 170.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.6 tp -67.07 -30.08 70.03 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -176.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -57.59 -41.19 80.68 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 176.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.49 -47.84 4.53 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.11 -45.36 77.45 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.0 -45.56 96.37 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 170.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -62.07 -36.16 80.82 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 172.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.8 m -61.24 -57.27 13.08 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.813 1.188 . . . . 0.0 112.105 170.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.288 3.5 pp -66.77 -3.54 6.99 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 119.719 3.229 . . . . 0.0 119.719 172.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -78.68 -60.34 2.42 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 124.59 1.156 . . . . 0.0 111.028 168.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -63.09 -38.15 90.03 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -58.18 -45.87 86.77 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 172.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.82 -38.25 83.01 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 172.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -61.81 -45.38 94.11 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 170.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.95 -41.65 96.71 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 169.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.4 tp -66.32 -44.24 83.9 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.7 mt -64.58 -42.55 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 CA-C-N 119.618 1.099 . . . . 0.0 112.502 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.1 m -55.73 -41.12 73.45 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 169.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -64.84 -45.53 85.74 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 168.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.3 mm -76.63 -77.55 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 124.694 1.197 . . . . 0.0 110.337 -172.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp 51.62 64.0 2.02 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 124.739 1.215 . . . . 0.0 114.02 -171.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 49.31 50.64 17.72 Favored 'General case' 0 CA--C 1.568 1.659 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 -171.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.9 p -58.75 139.55 56.08 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 -171.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.404 23.5 tt0 82.2 -39.87 0.11 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 -175.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.25 -41.46 89.94 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 154.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.0 m -81.95 -112.39 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 117.558 -1.21 . . . . 0.0 109.025 172.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.261 . . 67.05 -67.33 0.17 Allowed 'General case' 0 N--CA 1.504 2.251 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -172.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -67.46 -39.99 85.34 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 165.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.4 mmt -54.43 -48.33 71.8 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 166.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -61.67 -47.44 85.34 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 177.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -62.26 -43.17 99.44 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 173.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -62.74 -37.99 88.75 Favored 'General case' 0 CA--C 1.565 1.532 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 170.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -63.38 -33.76 76.24 Favored 'General case' 0 N--CA 1.503 2.179 0 CA-C-N 120.774 1.624 . . . . 0.0 114.054 174.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.2 t -66.53 -43.94 83.82 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 166.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.78 -53.6 56.53 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 172.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.4 m -60.68 -44.5 96.42 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -53.64 -52.47 59.84 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 169.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -64.31 -36.36 83.88 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 116.042 1.867 . . . . 0.0 116.042 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -63.0 -42.95 99.97 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.0 t -64.89 -47.8 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.098 0 CA-C-N 119.582 1.083 . . . . 0.0 112.466 168.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -61.51 -47.05 87.38 Favored 'General case' 0 CA--C 1.562 1.423 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -174.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -55.86 -29.69 60.3 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 117.352 2.352 . . . . 0.0 117.352 169.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -75.42 -42.1 54.36 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 172.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.14 149.9 45.94 Favored 'General case' 0 CA--C 1.568 1.671 0 C-N-CA 124.356 1.062 . . . . 0.0 112.498 174.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.288 0.0 OUTLIER -155.61 -61.77 0.11 Allowed 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 118.703 -0.665 . . . . 0.0 110.845 -177.811 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.2 mm -97.29 96.06 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 176.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -96.79 -83.74 0.38 Allowed 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 118.249 -0.882 . . . . 0.0 109.708 -172.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.5 m . . . . . 0 N--CA 1.486 1.374 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.503 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.4 ' H1 ' ' HD3' ' A' ' 2' ' ' PRO . 11.5 t . . . . . 0 CA--C 1.575 1.904 0 CA-C-O 118.486 -0.768 . . . . 0.0 112.331 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.4 ' HD3' ' H1 ' ' A' ' 1' ' ' THR . 90.4 Cg_endo -88.76 91.88 0.4 Allowed 'Trans proline' 0 CA--C 1.562 1.883 0 C-N-CA 123.046 2.497 . . . . 0.0 111.05 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.13 148.43 29.6 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.629 0.771 . . . . 0.0 112.971 -176.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.2 t -82.69 -37.12 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 CA-C-O 117.799 -1.096 . . . . 0.0 113.086 -174.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 m -60.47 -17.82 47.45 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 119.128 3.01 . . . . 0.0 119.128 172.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 t -85.83 -68.75 0.71 Allowed 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.079 0.952 . . . . 0.0 109.704 156.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 0.353 . . 83.73 -45.08 0.11 Allowed 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 125.765 1.626 . . . . 0.0 114.427 -175.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.424 HD12 ' H ' ' A' ' 11' ' ' LEU . 2.3 tm? -150.38 -68.31 0.19 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.458 1.103 . . . . 0.0 108.622 168.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 t70 53.84 44.18 29.88 Favored 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 117.843 2.535 . . . . 0.0 117.843 174.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.32 58.44 4.96 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 111.785 -2.461 . . . . 0.0 113.417 -170.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.424 ' H ' HD12 ' A' ' 8' ' ' LEU . 3.4 mm? 50.51 55.62 9.22 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -173.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.305 3.9 tmtt? -119.33 58.55 0.87 Allowed 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.365 1.079 . . . . 0.0 109.612 167.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.27 1.0 OUTLIER -177.43 -56.44 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 125.685 1.594 . . . . 0.0 108.811 178.804 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -77.52 -29.82 52.59 Favored 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 163.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.2 -40.65 94.09 Favored Glycine 0 CA--C 1.555 2.565 0 CA-C-N 120.267 1.394 . . . . 0.0 116.289 158.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -64.75 -32.54 74.27 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 166.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.8 m -61.77 -53.73 51.97 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 120.174 1.352 . . . . 0.0 112.749 170.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.343 2.9 pp -73.28 0.92 10.55 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 119.099 2.999 . . . . 0.0 119.099 171.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -77.13 -56.42 4.59 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.107 0.963 . . . . 0.0 111.245 164.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -60.23 -39.71 87.61 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 172.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -59.85 -49.91 75.85 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 171.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.18 95.62 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 173.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -58.0 -43.65 86.76 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 171.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.0 -45.6 92.22 Favored 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 168.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -74.36 -40.9 61.83 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.58 -48.32 80.76 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.833 0 CA-C-N 120.589 1.54 . . . . 0.0 111.663 172.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.415 ' HA ' ' HZ2' ' A' ' 30' ' ' LYS . 15.8 t -54.82 -36.56 65.12 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 169.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -62.38 -60.22 3.87 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.805 0.842 . . . . 0.0 112.6 167.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.268 10.1 mm -48.35 -66.99 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -171.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HZ2' ' HA ' ' A' ' 27' ' ' SER 0.345 0.0 OUTLIER -69.64 1.66 3.96 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 118.397 2.74 . . . . 0.0 118.397 -177.656 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -136.73 59.03 1.71 Allowed 'General case' 0 CA--C 1.569 1.709 0 C-N-CA 124.195 0.998 . . . . 0.0 110.792 160.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.8 p -154.99 152.72 30.01 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.091 -1.006 . . . . 0.0 111.722 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.32 4.64 4.39 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 117.753 2.501 . . . . 0.0 117.753 161.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -76.79 -32.45 57.66 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-N 119.279 0.945 . . . . 0.0 112.74 166.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.6 p -63.6 -41.26 98.34 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 119.816 3.265 . . . . 0.0 119.816 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.91 -17.75 10.72 Favored 'General case' 0 CA--C 1.568 1.645 0 N-CA-C 117.354 2.353 . . . . 0.0 117.354 159.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -77.98 -48.45 16.2 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 118.67 0.668 . . . . 0.0 112.642 169.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.4 mmm -50.64 -44.65 57.47 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 164.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -72.14 -44.4 63.17 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -174.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -58.27 -42.88 87.5 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 164.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -59.54 -40.97 88.98 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 171.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.84 -32.03 73.41 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 120.813 1.642 . . . . 0.0 114.596 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.3 m -68.55 -50.86 48.71 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 167.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.07 -37.56 72.03 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 173.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.1 m -83.07 -50.43 8.52 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 117.921 -1.038 . . . . 0.0 112.333 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -81.75 104.45 12.15 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 124.421 2.057 . . . . 0.0 109.436 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.34 7.1 pt20 158.25 -59.83 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 109.392 -3.549 . . . . 0.0 107.51 -157.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -62.83 -48.42 79.15 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.703 0.801 . . . . 0.0 112.995 160.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 t -63.37 -42.77 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 CA-C-O 117.783 -1.104 . . . . 0.0 113.308 169.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -57.09 -39.47 75.1 Favored 'General case' 0 CA--C 1.565 1.543 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -50.64 -34.52 26.55 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 116.726 2.121 . . . . 0.0 116.726 167.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -91.82 -67.69 0.84 Allowed 'General case' 0 CA--C 1.562 1.429 0 C-N-CA 123.806 0.842 . . . . 0.0 110.226 174.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.8 mp -100.12 94.77 6.42 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -87.31 113.65 23.21 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 119.468 1.031 . . . . 0.0 110.839 -173.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.7 mm -116.93 95.21 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 170.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -78.96 -75.2 0.25 Allowed 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 118.446 -0.788 . . . . 0.0 111.9 -171.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.256 11.2 t . . . . . 0 N--CA 1.49 1.554 0 C-N-CA 124.613 1.165 . . . . 0.0 112.225 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 39.8 m . . . . . 0 CA--C 1.568 1.666 0 CA-C-O 117.482 -1.247 . . . . 0.0 108.385 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.11 127.22 9.79 Favored 'Trans proline' 0 CA--C 1.56 1.818 0 C-N-CA 122.85 2.367 . . . . 0.0 112.531 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.06 -76.41 0.12 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.606 0.763 . . . . 0.0 112.711 -175.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.292 4.4 p -148.64 -72.52 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 CA-C-N 118.483 0.583 . . . . 0.0 109.756 -171.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 m 51.99 52.71 13.88 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -171.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.7 m 54.58 66.65 1.18 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -169.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.1 -60.45 1.9 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.26 0.624 . . . . 0.0 111.263 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -72.37 -36.49 68.74 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 169.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.91 -47.69 84.76 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 173.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -67.38 -60.26 2.72 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-N 118.918 0.781 . . . . 0.0 112.494 171.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.3 mt -96.64 82.18 3.29 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 123.72 0.808 . . . . 0.0 108.902 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.264 22.6 pttp -77.43 -61.06 2.11 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.1 -40.49 74.9 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 175.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.11 -46.26 81.75 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 117.64 -1.171 . . . . 0.0 113.936 170.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.54 -44.93 90.56 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 116.896 1.518 . . . . 0.0 116.896 171.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -57.03 -36.27 70.27 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 116.658 2.096 . . . . 0.0 116.658 165.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.6 m -63.11 -59.69 4.43 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 120.017 1.28 . . . . 0.0 112.947 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.297 1.9 pt? -75.85 2.0 13.52 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 118.773 2.879 . . . . 0.0 118.773 173.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.05 -56.23 4.85 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.883 0.873 . . . . 0.0 111.735 162.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.23 -43.49 92.37 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 172.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -58.41 -52.34 66.05 Favored 'General case' 0 CA--C 1.56 1.332 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 172.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.33 78.26 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 173.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -54.55 -43.56 72.11 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 169.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.44 -36.74 84.73 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 169.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.14 -37.93 84.61 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 169.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.7 mm -63.99 -52.05 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 CA-C-N 119.967 1.258 . . . . 0.0 111.656 169.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.2 p -81.54 58.7 3.8 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 172.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.309 5.5 ppt_? -167.15 -41.83 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 126.25 1.82 . . . . 0.0 109.537 173.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.7 mp -50.64 -59.93 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 C-N-CA 125.074 1.35 . . . . 0.0 113.077 157.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -70.87 1.8 5.08 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 119.462 3.134 . . . . 0.0 119.462 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -118.16 -21.33 8.25 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 175.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -140.57 131.01 25.28 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.918 1.287 . . . . 0.0 107.757 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.572 0.0 OUTLIER 69.69 -19.22 0.19 Allowed 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 120.025 3.343 . . . . 0.0 120.025 -174.184 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -78.97 -48.26 14.82 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 119.704 1.138 . . . . 0.0 109.538 143.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 m -108.48 82.6 1.64 Allowed 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 123.759 1.742 . . . . 0.0 110.81 172.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.05 -20.88 11.34 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-N 113.396 -1.729 . . . . 0.0 112.607 138.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -66.65 -26.32 67.0 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 165.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.9 mmt -90.79 -11.97 37.87 Favored 'General case' 0 CA--C 1.566 1.572 0 N-CA-C 116.253 1.946 . . . . 0.0 116.253 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -136.04 -53.88 0.75 Allowed 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 120.953 1.706 . . . . 0.0 112.832 -175.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.45 -44.59 70.95 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -61.14 -42.24 98.18 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-O 116.793 -1.575 . . . . 0.0 114.673 164.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -59.47 -35.95 75.05 Favored 'General case' 0 N--CA 1.504 2.25 0 CA-C-N 121.876 2.126 . . . . 0.0 114.578 173.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.7 t -68.0 -45.8 73.04 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 173.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -66.59 -49.29 66.85 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 171.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.0 m -85.31 25.78 0.97 Allowed 'General case' 0 CA--C 1.58 2.116 0 C-N-CA 124.904 1.282 . . . . 0.0 114.244 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -62.97 -35.75 81.2 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 -168.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -68.47 -32.07 71.8 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 115.816 1.784 . . . . 0.0 115.816 172.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -73.8 -25.68 60.24 Favored 'General case' 0 CA--C 1.572 1.8 0 CA-C-N 120.218 1.372 . . . . 0.0 114.535 166.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.1 t -58.58 -46.79 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 CA-C-N 121.246 1.839 . . . . 0.0 112.377 158.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -62.9 -47.53 82.9 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -54.45 -34.65 61.88 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 167.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -89.06 -5.81 57.58 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 174.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.3 mt 53.79 64.52 1.81 Allowed 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.28 1.432 . . . . 0.0 113.843 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? 69.75 95.29 0.07 Allowed 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.538 1.135 . . . . 0.0 110.331 -168.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.273 0.0 OUTLIER -68.95 -50.44 53.96 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.524 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -177.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . 0.316 3.9 p-10 -141.38 -93.61 0.14 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 119.306 0.957 . . . . 0.0 109.066 175.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.486 1.345 0 CA-C-N 119.677 1.126 . . . . 0.0 108.835 178.625 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.36 6.3 t . . . . . 0 CA--C 1.574 1.876 0 CA-C-O 114.909 -2.472 . . . . 0.0 117.49 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -62.55 146.38 95.44 Favored 'Trans proline' 0 CA--C 1.561 1.844 0 CA-C-N 125.959 3.164 . . . . 0.0 114.774 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -79.33 122.35 26.25 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.6 0.714 . . . . 0.0 111.259 -173.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.416 ' CG2' ' H ' ' A' ' 5' ' ' SER . 11.2 p -75.7 168.99 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.515 0 CA-C-O 122.999 1.381 . . . . 0.0 112.261 -177.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.416 ' H ' ' CG2' ' A' ' 4' ' ' VAL 0.367 4.9 t 69.36 -11.16 0.5 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 118.408 2.744 . . . . 0.0 118.408 -156.404 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.8 p -161.42 57.47 0.28 Allowed 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.817 0.847 . . . . 0.0 112.343 165.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -171.27 -68.89 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 171.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.12 -4.14 16.13 Favored 'General case' 0 CA--C 1.573 1.862 0 N-CA-C 116.445 2.017 . . . . 0.0 116.445 160.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.403 ' HA ' ' HZ2' ' A' ' 12' ' ' LYS . 12.0 t70 -56.56 -47.72 78.86 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 170.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -63.46 -41.49 98.61 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 172.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.16 -50.74 67.0 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' HZ2' ' HA ' ' A' ' 9' ' ' ASP . 23.5 pttm -65.01 -42.18 94.67 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 175.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -91.06 77.42 6.05 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-O 121.874 0.845 . . . . 0.0 109.691 172.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -157.23 -53.18 0.08 Allowed 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.888 1.275 . . . . 0.0 108.829 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.37 -43.76 94.48 Favored Glycine 0 CA--C 1.552 2.396 0 CA-C-N 120.138 1.335 . . . . 0.0 115.207 159.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.83 -34.68 73.41 Favored 'General case' 0 CA--C 1.569 1.68 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 165.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.5 m -59.47 -54.51 45.75 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 120.381 1.446 . . . . 0.0 112.655 170.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.316 2.9 pp -71.69 0.88 7.73 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 119.262 3.06 . . . . 0.0 119.262 171.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -80.04 -58.66 3.05 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.38 1.072 . . . . 0.0 110.789 166.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.18 -44.22 95.25 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 115.794 1.775 . . . . 0.0 115.794 170.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -56.81 -47.86 79.31 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 174.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.41 -45.9 88.87 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 173.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.46 -49.64 77.02 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.5 -28.99 70.22 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 169.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.0 tp -65.45 -37.88 88.18 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 169.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.4 mm -61.88 -49.47 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 CA-C-N 120.549 1.522 . . . . 0.0 112.27 172.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.4 p -57.57 -44.56 85.39 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 172.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -55.28 -52.91 61.91 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 171.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.256 1.7 mp -60.86 -55.77 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 C-N-CA 124.87 1.268 . . . . 0.0 113.186 176.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -64.41 -13.31 50.5 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 118.765 2.876 . . . . 0.0 118.765 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -81.73 -8.86 59.74 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 167.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.0 m -136.8 79.81 1.78 Allowed 'General case' 0 CA--C 1.56 1.362 0 CA-C-N 119.351 0.978 . . . . 0.0 108.973 162.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.545 ' H ' ' HA ' ' A' ' 35' ' ' SER . 29.3 mt-10 -140.75 60.73 1.52 Allowed 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 124.44 1.096 . . . . 0.0 108.438 169.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.487 0.2 OUTLIER 46.14 47.61 13.05 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 125.612 2.625 . . . . 0.0 114.02 -155.5 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.545 ' HA ' ' H ' ' A' ' 33' ' ' GLU 0.45 28.9 t -4.86 121.71 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 120.914 3.672 . . . . 0.0 120.914 -127.186 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.96 -31.59 23.48 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-N 112.816 -1.993 . . . . 0.0 115.003 -174.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -61.99 -41.28 97.87 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 155.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 6.9 ptt? -67.78 -12.98 61.72 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 116.559 2.059 . . . . 0.0 116.559 172.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -46.73 80.38 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 -167.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.74 -45.91 90.5 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 173.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -58.72 -36.27 74.01 Favored 'General case' 0 CA--C 1.569 1.675 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 165.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -61.71 -45.01 95.82 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 120.648 1.567 . . . . 0.0 113.348 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 98.5 p -61.82 -38.85 89.69 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 170.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.88 -50.69 65.57 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 172.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.6 m -84.0 -47.7 10.7 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 -172.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.6 -35.44 76.13 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 -173.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -48.75 -42.34 35.15 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 166.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -40.99 86.55 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 170.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.6 t -59.11 -49.16 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-N 119.172 0.897 . . . . 0.0 113.145 171.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -66.52 -48.82 68.54 Favored 'General case' 0 CA--C 1.561 1.391 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 -173.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -58.02 -28.98 64.96 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 117.152 2.279 . . . . 0.0 117.152 167.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -76.89 -42.13 40.98 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 173.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . 0.348 32.6 mt 89.4 -53.52 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.242 0 C-N-CA 124.887 1.275 . . . . 0.0 112.693 -174.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 75.17 84.66 0.1 Allowed 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 124.819 1.248 . . . . 0.0 109.059 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.312 66.5 mt 71.61 96.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 -164.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . 0.251 5.7 p-10 -65.35 -58.26 6.33 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -177.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 N--CA 1.485 1.293 0 CA-C-N 119.077 0.853 . . . . 0.0 109.434 176.379 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.3 t80 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.42 -49.68 67.43 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 116.992 1.557 . . . . 0.0 116.992 174.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -53.97 -35.93 62.33 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 169.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.9 m -61.81 -60.49 3.57 Favored 'General case' 0 CA--C 1.565 1.529 0 CA-C-O 117.669 -1.158 . . . . 0.0 112.787 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.334 1.8 pt? -78.87 0.27 27.89 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 119.321 3.082 . . . . 0.0 119.321 175.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.71 -48.09 34.58 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.871 0.868 . . . . 0.0 112.829 158.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.58 -42.57 92.82 Favored 'General case' 0 CA--C 1.567 1.626 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 167.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.66 -33.47 74.02 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 170.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.3 -45.38 66.4 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 170.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.02 76.26 10.07 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 119.906 1.23 . . . . 0.0 109.976 169.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 169.28 -62.76 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 105.969 -1.864 . . . . 0.0 105.969 -162.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.86 -47.5 29.96 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.711 0.805 . . . . 0.0 112.795 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -70.23 -35.31 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 CA-C-N 119.135 0.88 . . . . 0.0 112.634 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.0 m -77.8 86.07 4.07 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 119.982 1.264 . . . . 0.0 110.264 171.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.406 53.3 ptt85 141.66 -53.52 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 127.4 2.28 . . . . 0.0 109.902 -165.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.203 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.0 t80 . . . . . 0 CA--C 1.569 1.693 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.89 -55.27 27.74 Favored Glycine 0 N--CA 1.487 2.051 0 CA-C-O 118.798 -1.001 . . . . 0.0 115.341 173.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -61.07 -38.09 84.97 Favored 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.259 5.7 t -63.51 -47.34 82.08 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.72 46.1 1.0 Allowed 'General case' 0 N--CA 1.499 2.012 0 CA-C-O 122.892 1.33 . . . . 0.0 114.528 159.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -117.51 52.18 0.99 Allowed 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 137.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -171.27 -55.63 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.92 1.288 . . . . 0.0 108.557 -169.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.291 63.2 pttt -64.07 -40.56 96.54 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 119.934 1.243 . . . . 0.0 113.618 153.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.33 57.11 4.09 Favored 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 161.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -122.33 -60.35 1.56 Allowed 'General case' 0 CA--C 1.559 1.309 0 C-N-CA 126.06 1.744 . . . . 0.0 108.593 166.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.0 -33.03 72.61 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 167.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.23 -44.62 91.3 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 120.48 1.491 . . . . 0.0 113.702 169.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.4 mm -63.68 -41.2 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 CA-C-N 119.58 1.082 . . . . 0.0 113.225 174.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.8 m -56.44 -44.17 80.17 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 171.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -80.86 -8.21 59.66 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 172.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.0 mm . . . . . 0 N--CA 1.494 1.769 0 CA-C-N 120.615 1.552 . . . . 0.0 109.365 178.204 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.6 t80 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 115.783 1.772 . . . . 0.0 115.783 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.69 -51.13 60.85 Favored Glycine 0 N--CA 1.49 2.291 0 CA-C-N 120.323 1.419 . . . . 0.0 115.428 164.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -57.14 -34.31 68.28 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 166.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.1 m -61.68 -54.88 36.76 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 119.709 1.141 . . . . 0.0 112.728 171.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.363 1.6 pp -70.6 -6.51 37.2 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 119.817 3.266 . . . . 0.0 119.817 173.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -73.92 -49.69 23.6 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.235 1.014 . . . . 0.0 112.764 163.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.62 -38.47 91.26 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 169.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -60.21 -49.85 75.98 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 172.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.61 80.61 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 170.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -59.12 -47.71 84.26 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 168.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -63.32 -44.43 94.97 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 171.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.59 -36.36 70.82 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.0 mt -70.61 -48.52 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 CA-C-N 120.107 1.321 . . . . 0.0 111.406 173.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 t -57.45 -26.88 61.87 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 117.622 2.452 . . . . 0.0 117.622 168.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -80.04 -40.77 27.06 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 123.629 0.772 . . . . 0.0 112.899 171.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.263 9.8 mm . . . . . 0 N--CA 1.492 1.653 0 C-N-CA 124.779 1.232 . . . . 0.0 110.026 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 . . . . . 0 N--CA 1.494 1.757 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.27 -49.02 70.83 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 116.726 1.45 . . . . 0.0 116.726 171.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -69.46 -31.48 69.81 Favored 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 116.382 1.993 . . . . 0.0 116.382 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.9 m -65.12 -67.08 0.47 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 120.811 1.641 . . . . 0.0 112.241 -174.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.269 0.8 OUTLIER -70.4 -1.15 9.79 Favored 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 119.109 3.003 . . . . 0.0 119.109 173.689 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -76.15 -57.69 3.72 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.785 1.234 . . . . 0.0 111.842 162.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.5 -35.12 79.93 Favored 'General case' 0 CA--C 1.567 1.61 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 172.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -61.32 -51.1 70.26 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 172.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.69 -38.64 88.56 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.04 -51.18 70.3 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 119.274 0.943 . . . . 0.0 113.205 170.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -54.36 -36.04 63.42 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 170.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.33 -64.87 0.83 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.715 1.143 . . . . 0.0 112.049 174.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.81 -40.1 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 CA-C-N 120.448 1.476 . . . . 0.0 113.912 -172.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 t -59.66 -38.28 81.03 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 121.161 1.801 . . . . 0.0 115.818 172.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -71.14 -40.62 71.28 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 168.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.258 79.5 mt . . . . . 0 N--CA 1.488 1.445 0 C-N-CA 125.133 1.373 . . . . 0.0 107.375 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.4 t80 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 122.133 0.968 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 172.71 -66.43 0.12 Allowed Glycine 0 CA--C 1.543 1.8 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 -166.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -59.06 -38.71 80.02 Favored 'General case' 0 CA--C 1.567 1.633 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 164.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.7 m -60.97 -58.67 7.47 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 119.419 1.009 . . . . 0.0 112.041 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.413 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -80.64 32.6 0.3 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 170.187 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -91.43 -66.02 0.96 Allowed 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 124.372 1.069 . . . . 0.0 108.746 158.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.18 -40.34 86.55 Favored 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -63.73 -37.0 85.73 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 173.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.8 96.37 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 167.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -54.75 -32.41 59.84 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 166.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -62.73 -39.25 93.51 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 167.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.06 -32.3 73.4 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 167.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.2 mm -64.92 -50.94 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 CA-C-N 120.924 1.693 . . . . 0.0 112.022 172.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.0 p -57.18 -43.08 82.3 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -57.15 -42.3 80.76 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 168.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.8 mm . . . . . 0 N--CA 1.495 1.795 0 C-N-CA 124.664 1.186 . . . . 0.0 112.988 174.847 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.7 t80 . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 122.216 1.007 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 166.72 -43.68 0.26 Allowed Glycine 0 CA--C 1.547 2.094 0 CA-C-N 114.596 -1.184 . . . . 0.0 112.759 -171.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -55.89 -35.94 67.1 Favored 'General case' 0 CA--C 1.572 1.799 0 CA-C-N 119.497 1.648 . . . . 0.0 114.909 141.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 m -65.92 142.03 58.02 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 119.507 1.049 . . . . 0.0 109.333 154.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.365 3.0 mt 78.96 -29.46 0.15 Allowed 'General case' 0 N--CA 1.512 2.649 0 N-CA-C 118.08 2.622 . . . . 0.0 118.08 -171.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -91.14 -74.29 0.51 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.748 1.219 . . . . 0.0 111.796 172.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.87 -37.94 82.45 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 172.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -61.31 -37.73 84.3 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 170.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.22 75.26 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 166.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.8 ttm105 -85.13 69.45 10.78 Favored 'General case' 0 CA--C 1.568 1.635 0 CA-C-N 119.382 0.992 . . . . 0.0 110.656 171.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 171.83 -60.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 -162.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.2 tp -67.46 -48.0 68.45 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 170.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -67.44 -44.75 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 CA-C-O 118.003 -0.998 . . . . 0.0 111.769 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m -55.88 -37.7 69.19 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 172.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -69.34 -41.72 76.25 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 168.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.276 25.4 mm . . . . . 0 N--CA 1.489 1.478 0 C-N-CA 124.684 1.194 . . . . 0.0 109.126 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.266 7.5 p90 . . . . . 0 N--CA 1.497 1.896 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.87 -53.61 39.56 Favored Glycine 0 N--CA 1.49 2.252 0 CA-C-N 119.668 1.122 . . . . 0.0 114.795 165.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -56.14 -33.31 65.06 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 167.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 m -58.42 -51.85 68.09 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 119.468 1.031 . . . . 0.0 112.804 167.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.336 3.1 pp -75.45 4.47 7.34 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 119.177 3.029 . . . . 0.0 119.177 170.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -78.07 -60.65 2.29 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.88 0.872 . . . . 0.0 110.784 162.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -56.58 -43.77 80.38 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 171.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -63.02 -37.1 85.82 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 173.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.63 -49.83 61.07 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 173.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -61.55 -36.73 81.44 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 173.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.9 -50.06 72.35 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 117.208 -1.377 . . . . 0.0 114.095 166.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -93.38 45.77 1.18 Allowed 'General case' 0 CA--C 1.57 1.743 0 CA-C-N 120.453 1.479 . . . . 0.0 114.33 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.4 mt -123.62 -54.46 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 154.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.8 t -78.0 90.56 4.18 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-N 120.684 1.583 . . . . 0.0 109.589 167.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 148.82 -63.61 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 126.533 1.933 . . . . 0.0 106.143 -154.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.289 51.9 mt . . . . . 0 CA--C 1.568 1.635 0 C-N-CA 124.406 1.082 . . . . 0.0 108.775 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.2 t80 . . . . . 0 CA--C 1.564 1.513 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.77 -49.51 70.06 Favored Glycine 0 N--CA 1.492 2.396 0 CA-C-N 119.983 1.265 . . . . 0.0 115.984 167.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -53.49 -31.61 46.66 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 117.254 2.316 . . . . 0.0 117.254 167.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.4 m -62.59 -61.68 2.26 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-N 119.999 1.272 . . . . 0.0 112.397 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.298 2.3 pt? -78.5 4.12 14.15 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 119.209 3.04 . . . . 0.0 119.209 176.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.84 -56.71 3.94 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.189 0.996 . . . . 0.0 111.502 163.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.22 -40.21 95.59 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 172.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -60.59 -47.89 84.19 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.12 96.62 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 171.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -57.21 -45.67 83.59 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 168.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.31 -21.22 66.68 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 116.991 2.219 . . . . 0.0 116.991 172.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.19 -39.99 95.16 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 120.741 1.61 . . . . 0.0 115.11 169.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mp -66.6 -46.59 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 CA-C-N 120.821 1.646 . . . . 0.0 112.443 173.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.1 p -59.58 -30.0 68.35 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 170.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -67.19 -40.18 86.47 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 163.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.296 75.7 mt . . . . . 0 CA--C 1.563 1.457 0 C-N-CA 125.025 1.33 . . . . 0.0 107.515 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.91 -22.64 78.71 Favored Glycine 0 CA--C 1.552 2.389 0 N-CA-C 117.225 1.65 . . . . 0.0 117.225 164.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -81.76 -152.34 0.1 Allowed 'General case' 0 CA--C 1.58 2.127 0 CA-C-N 119.572 1.686 . . . . 0.0 109.436 155.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.44 24.9 m 67.75 -87.2 0.03 OUTLIER 'General case' 0 CA--C 1.565 1.541 0 O-C-N 120.492 -1.38 . . . . 0.0 113.784 169.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.3 pt? -70.66 -3.46 18.52 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 119.055 2.983 . . . . 0.0 119.055 168.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.8 -56.71 4.41 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 124.836 1.254 . . . . 0.0 112.035 166.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.63 -42.04 98.33 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -56.55 -46.17 80.84 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.73 -49.1 72.15 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -57.88 -38.65 76.16 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 170.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -63.38 -44.74 93.89 Favored 'General case' 0 CA--C 1.567 1.617 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 169.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.9 mp -71.47 -48.75 47.26 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.41 -45.01 99.8 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.832 0 CA-C-O 117.436 -1.269 . . . . 0.0 112.488 175.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.9 p -56.43 -39.07 72.46 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 117.041 2.238 . . . . 0.0 117.041 171.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -65.99 -48.92 69.61 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 170.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.312 1.7 mp . . . . . 0 CA--C 1.565 1.537 0 C-N-CA 124.81 1.244 . . . . 0.0 109.78 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.4 t80 . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.74 -42.49 93.14 Favored Glycine 0 CA--C 1.554 2.522 0 CA-C-N 120.393 1.451 . . . . 0.0 115.267 158.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.03 -28.07 66.07 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 165.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.9 m -62.5 -59.47 4.91 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.046 1.294 . . . . 0.0 112.867 177.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.282 2.3 pt? -75.71 2.85 10.98 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 118.786 2.884 . . . . 0.0 118.786 171.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -77.94 -58.28 3.35 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.144 0.977 . . . . 0.0 111.077 163.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -61.72 -43.46 98.8 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 174.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -55.19 -50.03 70.41 Favored 'General case' 0 CA--C 1.565 1.532 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 171.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.96 96.38 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 172.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -58.33 -45.4 88.16 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 170.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.92 -42.86 99.58 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 170.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.1 -52.51 41.04 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 119.491 1.041 . . . . 0.0 113.658 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.05 -47.53 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 CA-C-O 117.901 -1.047 . . . . 0.0 113.022 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.8 m -60.04 -39.67 86.71 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.6 ttp-105 -66.59 -39.64 88.52 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 169.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.282 25.5 mm . . . . . 0 N--CA 1.489 1.49 0 C-N-CA 124.979 1.311 . . . . 0.0 109.179 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 122.235 1.017 . . . . 0.0 108.405 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.66 -62.32 0.18 Allowed Glycine 0 CA--C 1.54 1.596 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.615 -163.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.58 -43.2 99.4 Favored 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 168.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.253 9.2 t -61.34 -54.32 45.29 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 176.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.1 pt? -84.1 26.19 0.77 Allowed 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 116.838 2.162 . . . . 0.0 116.838 170.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -89.68 -61.83 1.61 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 123.961 0.904 . . . . 0.0 109.775 155.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -63.61 -44.89 92.65 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -62.33 -39.52 93.36 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 173.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.6 -49.32 73.79 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 173.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -56.67 -46.02 81.38 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 171.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.83 -37.41 76.38 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 168.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 tp -66.24 -32.31 73.65 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 171.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.0 mm -64.53 -45.37 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 CA-C-N 120.475 1.489 . . . . 0.0 112.305 168.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.0 m -55.35 -36.49 66.36 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -66.79 -46.85 73.93 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 166.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.258 80.0 mt . . . . . 0 N--CA 1.493 1.68 0 C-N-CA 124.857 1.263 . . . . 0.0 110.371 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.7 t80 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.616 -1.183 . . . . 0.0 108.563 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.42 -44.44 84.25 Favored Glycine 0 N--CA 1.492 2.432 0 CA-C-N 120.725 1.602 . . . . 0.0 115.125 164.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -54.84 -35.06 63.57 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 116.458 2.021 . . . . 0.0 116.458 164.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.7 m -60.94 -63.72 1.2 Allowed 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 117.266 -1.349 . . . . 0.0 112.384 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.3 2.0 pt? -73.72 1.19 10.87 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 175.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -81.07 -56.87 3.81 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 124.179 0.991 . . . . 0.0 111.908 166.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.08 -36.52 82.17 Favored 'General case' 0 CA--C 1.567 1.596 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 171.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -61.79 -46.06 91.18 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.42 84.44 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 116.358 1.984 . . . . 0.0 116.358 170.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 ttm105 -60.15 -47.8 84.42 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 170.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.88 -42.48 98.03 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 169.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.0 tp -58.33 -48.42 80.61 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 173.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.87 -35.73 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 C-N-CA 124.19 0.996 . . . . 0.0 113.637 172.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.2 m -58.12 -46.56 85.39 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 172.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -71.2 -49.66 41.22 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 172.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.267 1.7 mp . . . . . 0 N--CA 1.492 1.63 0 C-N-CA 124.627 1.171 . . . . 0.0 109.747 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.4 t80 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 117.681 -1.152 . . . . 0.0 113.479 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.18 -42.3 81.45 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 117.224 1.649 . . . . 0.0 117.224 170.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -59.39 -41.52 89.59 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 170.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.7 p -65.71 -58.22 6.21 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 117.209 -1.377 . . . . 0.0 113.87 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.359 1.4 pt? -75.68 -3.91 37.29 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 118.933 2.938 . . . . 0.0 118.933 177.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -75.83 -52.33 10.62 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.77 0.828 . . . . 0.0 112.488 160.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.83 -43.11 94.75 Favored 'General case' 0 CA--C 1.566 1.568 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 170.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -63.87 -40.66 97.08 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 173.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.81 97.44 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.68 1.734 . . . . 0.0 115.68 170.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -59.53 -43.24 93.51 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 168.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -56.07 -45.25 79.39 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 114.924 1.454 . . . . 0.0 114.924 167.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.66 -38.65 87.29 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 174.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.3 mt -62.7 -35.39 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 CA-C-N 119.594 1.088 . . . . 0.0 113.815 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.6 p -58.33 -39.92 80.73 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 169.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -71.59 -49.09 43.72 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 168.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.3 mm . . . . . 0 N--CA 1.492 1.643 0 C-N-CA 125.087 1.355 . . . . 0.0 110.73 -174.722 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.2 -46.39 62.9 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 117.025 1.57 . . . . 0.0 117.025 170.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -61.34 -33.28 73.36 Favored 'General case' 0 CA--C 1.571 1.771 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 168.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.9 m -63.5 -60.0 3.92 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-N 119.955 1.252 . . . . 0.0 112.949 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.292 1.8 pt? -74.56 -0.12 16.69 Favored 'General case' 0 N--CA 1.502 2.125 0 N-CA-C 118.922 2.934 . . . . 0.0 118.922 172.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -76.25 -56.13 4.93 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 124.539 1.136 . . . . 0.0 111.832 163.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.45 -46.26 89.32 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 173.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -47.08 77.24 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 173.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.63 -31.0 72.03 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 169.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -61.88 -49.41 76.34 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 170.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.85 -38.84 92.33 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 171.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 mt -69.2 -47.33 65.14 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.74 -49.9 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 CA-C-O 117.545 -1.217 . . . . 0.0 111.594 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.9 m -81.3 87.67 6.12 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 120.443 1.474 . . . . 0.0 109.699 173.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 153.82 -63.48 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 105.79 -1.929 . . . . 0.0 105.79 -155.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.262 83.5 mt . . . . . 0 N--CA 1.492 1.628 0 C-N-CA 125.184 1.393 . . . . 0.0 108.611 173.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 t80 . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.0 -45.56 96.37 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 170.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -62.07 -36.16 80.82 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 172.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.8 m -61.24 -57.27 13.08 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.813 1.188 . . . . 0.0 112.105 170.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.288 3.5 pp -66.77 -3.54 6.99 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 119.719 3.229 . . . . 0.0 119.719 172.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -78.68 -60.34 2.42 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 124.59 1.156 . . . . 0.0 111.028 168.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -63.09 -38.15 90.03 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -58.18 -45.87 86.77 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 172.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.82 -38.25 83.01 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 172.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -61.81 -45.38 94.11 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 170.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.95 -41.65 96.71 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 169.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.4 tp -66.32 -44.24 83.9 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.7 mt -64.58 -42.55 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 CA-C-N 119.618 1.099 . . . . 0.0 112.502 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.1 m -55.73 -41.12 73.45 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 169.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -64.84 -45.53 85.74 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 168.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 N--CA 1.489 1.475 0 C-N-CA 124.694 1.197 . . . . 0.0 110.337 -172.933 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.6 t80 . . . . . 0 CA--C 1.567 1.612 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.2 -40.65 94.09 Favored Glycine 0 CA--C 1.555 2.565 0 CA-C-N 120.267 1.394 . . . . 0.0 116.289 158.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -64.75 -32.54 74.27 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 166.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.8 m -61.77 -53.73 51.97 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 120.174 1.352 . . . . 0.0 112.749 170.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.343 2.9 pp -73.28 0.92 10.55 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 119.099 2.999 . . . . 0.0 119.099 171.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -77.13 -56.42 4.59 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.107 0.963 . . . . 0.0 111.245 164.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -60.23 -39.71 87.61 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 172.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -59.85 -49.91 75.85 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 171.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.18 95.62 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 173.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -58.0 -43.65 86.76 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 171.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.0 -45.6 92.22 Favored 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 168.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -74.36 -40.9 61.83 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.58 -48.32 80.76 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.833 0 CA-C-N 120.589 1.54 . . . . 0.0 111.663 172.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.8 t -54.82 -36.56 65.12 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 169.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -62.38 -60.22 3.87 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.805 0.842 . . . . 0.0 112.6 167.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.268 10.1 mm . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -171.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.6 t80 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 117.64 -1.171 . . . . 0.0 113.936 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.54 -44.93 90.56 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 116.896 1.518 . . . . 0.0 116.896 171.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -57.03 -36.27 70.27 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 116.658 2.096 . . . . 0.0 116.658 165.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.6 m -63.11 -59.69 4.43 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 120.017 1.28 . . . . 0.0 112.947 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.297 1.9 pt? -75.85 2.0 13.52 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 118.773 2.879 . . . . 0.0 118.773 173.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.05 -56.23 4.85 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.883 0.873 . . . . 0.0 111.735 162.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.23 -43.49 92.37 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 172.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -58.41 -52.34 66.05 Favored 'General case' 0 CA--C 1.56 1.332 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 172.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.33 78.26 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 173.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -54.55 -43.56 72.11 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 169.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.44 -36.74 84.73 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 169.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.14 -37.93 84.61 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 169.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.7 mm -63.99 -52.05 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 CA-C-N 119.967 1.258 . . . . 0.0 111.656 169.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.2 p -81.54 58.7 3.8 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 172.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.309 5.5 ppt_? -167.15 -41.83 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 126.25 1.82 . . . . 0.0 109.537 173.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.491 1.597 0 C-N-CA 125.074 1.35 . . . . 0.0 113.077 157.786 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.2 t80 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 118.23 -0.89 . . . . 0.0 108.829 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.37 -43.76 94.48 Favored Glycine 0 CA--C 1.552 2.396 0 CA-C-N 120.138 1.335 . . . . 0.0 115.207 159.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.83 -34.68 73.41 Favored 'General case' 0 CA--C 1.569 1.68 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 165.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.5 m -59.47 -54.51 45.75 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 120.381 1.446 . . . . 0.0 112.655 170.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.316 2.9 pp -71.69 0.88 7.73 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 119.262 3.06 . . . . 0.0 119.262 171.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -80.04 -58.66 3.05 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.38 1.072 . . . . 0.0 110.789 166.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.18 -44.22 95.25 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 115.794 1.775 . . . . 0.0 115.794 170.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -56.81 -47.86 79.31 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 174.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.41 -45.9 88.87 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 173.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.46 -49.64 77.02 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.5 -28.99 70.22 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 169.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.0 tp -65.45 -37.88 88.18 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 169.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.4 mm -61.88 -49.47 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 CA-C-N 120.549 1.522 . . . . 0.0 112.27 172.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.4 p -57.57 -44.56 85.39 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 172.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -55.28 -52.91 61.91 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 171.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.256 1.7 mp . . . . . 0 N--CA 1.493 1.69 0 C-N-CA 124.87 1.268 . . . . 0.0 113.186 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.7 t . . . . . 0 CA--C 1.574 1.881 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -89.91 130.1 1.77 Allowed 'Trans proline' 0 CA--C 1.56 1.802 0 C-N-CA 122.604 2.203 . . . . 0.0 112.134 -169.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -80.0 121.0 24.94 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.233 0.613 . . . . 0.0 109.862 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.5 t -92.23 149.46 4.15 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.824 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.468 -166.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -152.38 73.21 1.02 Allowed 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 167.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.254 9.8 t 45.38 57.39 4.9 Favored 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 -161.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -121.58 -66.32 1.05 Allowed 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 124.017 0.927 . . . . 0.0 109.184 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.38 -13.25 37.56 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 116.361 1.985 . . . . 0.0 116.361 163.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.64 -51.24 66.05 Favored 'General case' 0 CA--C 1.567 1.624 0 CA-C-N 120.474 1.488 . . . . 0.0 113.619 163.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -65.82 -60.42 2.89 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.756 0.822 . . . . 0.0 113.002 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.97 76.78 10.23 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 123.371 0.668 . . . . 0.0 110.161 166.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -85.36 -41.41 15.5 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 172.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -49.27 13.05 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.19 0.996 . . . . 0.0 113.594 175.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -63.64 -44.58 93.44 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 168.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.42 -49.68 67.43 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 116.992 1.557 . . . . 0.0 116.992 174.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -53.97 -35.93 62.33 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 169.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.9 m -61.81 -60.49 3.57 Favored 'General case' 0 CA--C 1.565 1.529 0 CA-C-O 117.669 -1.158 . . . . 0.0 112.787 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.334 1.8 pt? -78.87 0.27 27.89 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 119.321 3.082 . . . . 0.0 119.321 175.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.71 -48.09 34.58 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.871 0.868 . . . . 0.0 112.829 158.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.58 -42.57 92.82 Favored 'General case' 0 CA--C 1.567 1.626 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 167.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.66 -33.47 74.02 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 170.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.3 -45.38 66.4 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 170.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.02 76.26 10.07 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 119.906 1.23 . . . . 0.0 109.976 169.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 169.28 -62.76 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 105.969 -1.864 . . . . 0.0 105.969 -162.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.86 -47.5 29.96 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.711 0.805 . . . . 0.0 112.795 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -70.23 -35.31 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 CA-C-N 119.135 0.88 . . . . 0.0 112.634 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.0 m -77.8 86.07 4.07 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 119.982 1.264 . . . . 0.0 110.264 171.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.406 53.3 ptt85 141.66 -53.52 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 127.4 2.28 . . . . 0.0 109.902 -165.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -76.36 -81.65 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.6 tptt 59.66 66.45 1.0 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.653 1.181 . . . . 0.0 113.119 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.25 60.2 mt-30 56.01 56.68 5.72 Favored 'General case' 0 CA--C 1.567 1.634 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -169.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.1 m -117.9 -97.41 0.46 Allowed 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 117.973 -1.013 . . . . 0.0 108.493 176.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -71.16 0.64 7.32 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 161.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -76.98 -47.37 20.94 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 119.204 0.911 . . . . 0.0 110.821 159.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.9 m -87.03 -110.03 0.06 Allowed 'General case' 0 CA--C 1.558 1.256 0 CA-C-O 117.399 -1.286 . . . . 0.0 109.906 174.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.266 . . 70.23 -68.92 0.19 Allowed 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 120.132 1.333 . . . . 0.0 113.511 -171.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -68.14 -36.92 80.46 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 164.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.6 mmm -66.76 -44.15 82.19 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 117.248 -1.358 . . . . 0.0 114.025 169.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -67.75 -34.9 77.74 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -59.68 -46.97 87.43 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 163.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -61.45 -39.4 90.71 Favored 'General case' 0 CA--C 1.567 1.634 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 172.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -65.98 -39.85 90.71 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 120.416 1.462 . . . . 0.0 113.3 175.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.4 p -87.18 69.43 10.08 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 121.975 0.893 . . . . 0.0 111.826 169.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 175.1 -63.73 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 -165.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.0 m -65.47 -54.77 23.6 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.522 1.129 . . . . 0.0 112.499 175.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -61.68 -40.6 95.55 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 169.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -60.56 -37.5 81.48 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -56.91 -42.15 79.42 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 166.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 t -65.14 -50.62 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 CA-C-N 119.077 0.853 . . . . 0.0 112.443 170.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -61.31 -49.9 75.15 Favored 'General case' 0 CA--C 1.56 1.332 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 -173.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -52.93 -29.44 28.7 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 117.812 2.523 . . . . 0.0 117.812 169.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -86.87 -55.88 3.64 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.006 0.923 . . . . 0.0 111.537 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.4 mt -103.17 -128.48 0.23 Allowed 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.941 0.897 . . . . 0.0 109.093 -168.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.325 36.3 ttpt 59.1 -113.97 0.7 Allowed 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.726 1.21 . . . . 0.0 111.037 -173.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.25 18.5 tt -92.18 -67.91 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.563 0 C-N-CA 124.667 1.187 . . . . 0.0 108.863 161.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -140.65 -87.18 0.18 Allowed 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.485 1.311 0 CA-C-N 119.482 1.037 . . . . 0.0 111.207 174.194 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 CA--C 1.562 1.438 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.44 97.07 1.11 Allowed 'Trans proline' 0 CA--C 1.563 1.936 0 CA-C-N 123.791 2.39 . . . . 0.0 112.592 -172.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -104.39 127.69 52.1 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.918 0.887 . . . . 0.0 109.563 -175.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.475 HG13 ' H ' ' A' ' 5' ' ' SER 0.357 13.1 p -128.94 -121.72 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.335 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.509 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.475 ' H ' HG13 ' A' ' 4' ' ' VAL . 11.6 t 52.36 55.47 9.09 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -157.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.28 14.4 t 51.3 63.29 2.3 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 115.267 1.581 . . . . 0.0 115.267 -162.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.8 -56.67 1.05 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.232 1.013 . . . . 0.0 109.549 171.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.8 tp -61.97 -29.0 69.95 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 161.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.61 -55.64 19.01 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 119.697 1.135 . . . . 0.0 113.833 172.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -73.8 -46.23 46.6 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.1 mt -77.07 -54.59 6.34 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.927 0.891 . . . . 0.0 112.33 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.558 22.4 pttp 70.37 -76.0 0.07 Allowed 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 116.539 2.052 . . . . 0.0 116.539 166.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.89 -43.68 29.38 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 169.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -67.9 -34.85 77.43 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 164.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.89 -55.27 27.74 Favored Glycine 0 N--CA 1.487 2.051 0 CA-C-O 118.798 -1.001 . . . . 0.0 115.341 173.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -61.07 -38.09 84.97 Favored 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.259 5.7 t -63.51 -47.34 82.08 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.72 46.1 1.0 Allowed 'General case' 0 N--CA 1.499 2.012 0 CA-C-O 122.892 1.33 . . . . 0.0 114.528 159.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -117.51 52.18 0.99 Allowed 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 137.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -171.27 -55.63 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.92 1.288 . . . . 0.0 108.557 -169.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.291 63.2 pttt -64.07 -40.56 96.54 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 119.934 1.243 . . . . 0.0 113.618 153.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.33 57.11 4.09 Favored 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 161.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -122.33 -60.35 1.56 Allowed 'General case' 0 CA--C 1.559 1.309 0 C-N-CA 126.06 1.744 . . . . 0.0 108.593 166.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.0 -33.03 72.61 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 167.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.23 -44.62 91.3 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 120.48 1.491 . . . . 0.0 113.702 169.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.4 mm -63.68 -41.2 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 CA-C-N 119.58 1.082 . . . . 0.0 113.225 174.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.8 m -56.44 -44.17 80.17 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 171.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -80.86 -8.21 59.66 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 172.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.0 mm -100.72 -70.44 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 CA-C-N 120.615 1.552 . . . . 0.0 109.365 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -63.62 -11.55 26.04 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 118.438 2.755 . . . . 0.0 118.438 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -134.3 71.84 1.46 Allowed 'General case' 0 CA--C 1.562 1.425 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 156.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.0 t -77.05 148.91 35.88 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.434 -0.791 . . . . 0.0 112.346 175.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.91 18.79 0.58 Allowed 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 117.251 2.315 . . . . 0.0 117.251 168.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -59.73 2.65 Favored 'General case' 0 CA--C 1.563 1.479 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 149.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.8 m -102.21 92.51 4.77 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 122.916 1.341 . . . . 0.0 109.958 -176.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.77 -38.06 8.83 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 113.914 -1.494 . . . . 0.0 112.79 162.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -80.63 -40.82 24.97 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 170.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . 0.28 30.6 tpp -65.63 -24.45 67.05 Favored 'General case' 0 CA--C 1.566 1.571 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 166.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -74.73 -34.92 62.63 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 122.232 2.287 . . . . 0.0 115.312 163.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -58.07 -43.06 86.77 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 163.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -64.12 -39.49 94.15 Favored 'General case' 0 CA--C 1.566 1.562 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 169.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.89 -35.21 77.68 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 121.475 1.943 . . . . 0.0 114.187 174.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.1 m -67.14 -47.55 70.72 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 168.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -63.03 -40.72 98.56 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 174.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 36.5 m -66.79 -42.42 86.01 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.227 1.011 . . . . 0.0 113.648 172.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -56.9 -48.0 79.23 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 168.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -62.14 -34.54 76.56 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 171.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -58.57 -47.73 83.3 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 t -68.63 -51.71 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 CA-C-N 118.865 0.757 . . . . 0.0 112.167 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -62.64 -51.81 65.81 Favored 'General case' 0 CA--C 1.561 1.39 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -173.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.31 -9.24 31.07 Favored 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 174.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -89.58 -57.64 2.8 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 120.246 1.385 . . . . 0.0 111.383 162.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.8 mt -100.29 -68.64 0.8 Allowed 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 124.034 0.934 . . . . 0.0 112.571 -164.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 98.4 11.69 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 119.374 0.988 . . . . 0.0 109.218 -172.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.292 4.7 mp 65.33 89.18 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 C-N-CA 124.469 1.107 . . . . 0.0 109.319 -174.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . 0.273 5.6 p-10 -68.06 -59.58 3.14 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -173.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.7 m . . . . . 0 N--CA 1.491 1.616 0 C-N-CA 124.503 1.121 . . . . 0.0 112.843 174.796 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 CA--C 1.572 1.815 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -87.7 85.0 0.76 Allowed 'Trans proline' 0 CA--C 1.561 1.863 0 C-N-CA 123.17 2.58 . . . . 0.0 110.353 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -146.41 130.66 17.51 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -165.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.341 10.0 p -100.56 -148.0 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.619 0 C-N-CA 123.312 0.645 . . . . 0.0 109.583 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 m 51.57 38.65 22.96 Favored 'General case' 0 N--CA 1.503 2.191 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -156.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -172.9 -70.41 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 -162.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 0.275 . . 76.62 -33.45 0.21 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 117.122 2.267 . . . . 0.0 117.122 -175.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.74 -28.64 0.97 Allowed 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.88 1.272 . . . . 0.0 112.748 178.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.7 -50.47 66.84 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 120.338 1.427 . . . . 0.0 113.655 171.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -68.42 -51.85 39.37 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 118.216 -0.897 . . . . 0.0 112.979 163.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.23 66.12 3.42 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-N 119.478 1.036 . . . . 0.0 112.663 -178.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.292 0.0 OUTLIER -100.26 -50.87 3.81 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.299 1.04 . . . . 0.0 112.302 159.309 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.51 -49.11 13.96 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 119.961 1.255 . . . . 0.0 113.256 170.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -71.13 -24.41 62.27 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 115.783 1.772 . . . . 0.0 115.783 171.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.69 -51.13 60.85 Favored Glycine 0 N--CA 1.49 2.291 0 CA-C-N 120.323 1.419 . . . . 0.0 115.428 164.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -57.14 -34.31 68.28 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 166.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.1 m -61.68 -54.88 36.76 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 119.709 1.141 . . . . 0.0 112.728 171.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.363 1.6 pp -70.6 -6.51 37.2 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 119.817 3.266 . . . . 0.0 119.817 173.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -73.92 -49.69 23.6 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.235 1.014 . . . . 0.0 112.764 163.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.62 -38.47 91.26 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 169.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -60.21 -49.85 75.98 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 172.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.61 80.61 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 170.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -59.12 -47.71 84.26 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 168.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -63.32 -44.43 94.97 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 171.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.59 -36.36 70.82 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.0 mt -70.61 -48.52 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 CA-C-N 120.107 1.321 . . . . 0.0 111.406 173.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 t -57.45 -26.88 61.87 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 117.622 2.452 . . . . 0.0 117.622 168.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -80.04 -40.77 27.06 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 123.629 0.772 . . . . 0.0 112.899 171.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.263 9.8 mm -68.05 -82.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 124.779 1.232 . . . . 0.0 110.026 175.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 46.98 56.96 6.13 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -167.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.254 9.1 tt0 54.14 74.18 0.35 Allowed 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.842 1.257 . . . . 0.0 113.641 -166.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.5 t 71.95 153.54 0.13 Allowed 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 175.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.541 0.0 OUTLIER 127.44 -42.01 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 127.443 2.297 . . . . 0.0 113.054 -175.814 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -73.98 -38.28 64.21 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 154.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.7 m -79.97 -110.49 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.394 0 CA-C-O 117.515 -1.231 . . . . 0.0 109.54 170.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.267 . . 71.18 -66.48 0.29 Allowed 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.976 1.262 . . . . 0.0 113.922 -174.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -69.73 -38.11 76.75 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 161.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 89.6 mmm -68.95 0.61 4.26 Favored 'General case' 0 CA--C 1.575 1.938 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 168.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -122.57 -63.37 1.28 Allowed 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 121.272 1.851 . . . . 0.0 112.091 172.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -68.9 -57.21 5.83 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 113.769 1.025 . . . . 0.0 113.769 -175.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 55.5 t90 -62.53 -32.18 73.08 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 167.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -58.45 -37.12 74.78 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 120.517 1.508 . . . . 0.0 113.911 171.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.8 p -84.05 72.13 10.5 Favored 'General case' 0 CA--C 1.564 1.513 0 CA-C-O 121.855 0.836 . . . . 0.0 111.778 169.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 171.52 -69.46 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 -169.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 m -93.87 70.66 4.04 Favored 'General case' 0 CA--C 1.572 1.803 0 CA-C-O 123.023 1.392 . . . . 0.0 108.144 168.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -91.37 -64.0 1.18 Allowed 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.937 -169.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -32.4 72.57 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 116.039 1.866 . . . . 0.0 116.039 175.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -62.86 -45.91 90.33 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 174.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.07 -48.48 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 CA-C-N 119.156 0.889 . . . . 0.0 112.86 167.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -66.21 -39.18 89.43 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 115.802 1.778 . . . . 0.0 115.802 -170.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -64.49 -27.39 68.95 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 162.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -71.13 -65.02 0.8 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.281 1.033 . . . . 0.0 112.257 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -91.94 126.07 36.88 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 119.413 1.006 . . . . 0.0 108.36 169.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.467 0.6 OUTLIER 55.92 -173.17 0.06 Allowed 'General case' 0 N--CA 1.498 1.975 0 CA-C-N 120.906 1.685 . . . . 0.0 115.059 -167.611 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.251 97.3 mt -113.74 -79.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -87.83 -80.07 0.27 Allowed 'General case' 0 N--CA 1.489 1.482 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.012 -175.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -178.332 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 45.0 p . . . . . 0 CA--C 1.569 1.676 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.52 80.94 2.43 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 C-N-CA 123.295 2.663 . . . . 0.0 112.215 169.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 p30 177.22 146.7 0.11 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.446 1.099 . . . . 0.0 108.682 -167.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.434 HG13 ' H ' ' A' ' 5' ' ' SER 0.363 9.7 p -114.94 -129.93 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 176.378 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.434 ' H ' HG13 ' A' ' 4' ' ' VAL . 46.4 m 54.33 55.1 8.53 Favored 'General case' 0 N--CA 1.498 1.928 0 C-N-CA 124.204 1.002 . . . . 0.0 113.577 -156.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.269 9.8 t 54.55 60.85 3.29 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -165.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -137.92 -44.39 0.52 Allowed 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.32 1.048 . . . . 0.0 111.442 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -22.08 66.75 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 155.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.94 -52.74 32.6 Favored 'General case' 0 CA--C 1.568 1.654 0 CA-C-N 120.239 1.381 . . . . 0.0 113.457 163.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -76.6 -53.36 8.14 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -173.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.25 -54.14 13.99 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 117.845 -1.074 . . . . 0.0 112.396 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.523 65.7 pttt 68.75 -76.44 0.06 Allowed 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 167.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.32 -48.13 52.39 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 168.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -63.48 -41.25 98.58 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 167.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.27 -49.02 70.83 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 116.726 1.45 . . . . 0.0 116.726 171.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -69.46 -31.48 69.81 Favored 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 116.382 1.993 . . . . 0.0 116.382 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.9 m -65.12 -67.08 0.47 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 120.811 1.641 . . . . 0.0 112.241 -174.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.269 0.8 OUTLIER -70.4 -1.15 9.79 Favored 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 119.109 3.003 . . . . 0.0 119.109 173.689 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -76.15 -57.69 3.72 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.785 1.234 . . . . 0.0 111.842 162.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.5 -35.12 79.93 Favored 'General case' 0 CA--C 1.567 1.61 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 172.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -61.32 -51.1 70.26 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 172.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.69 -38.64 88.56 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.04 -51.18 70.3 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 119.274 0.943 . . . . 0.0 113.205 170.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -54.36 -36.04 63.42 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 170.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.33 -64.87 0.83 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.715 1.143 . . . . 0.0 112.049 174.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.81 -40.1 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 CA-C-N 120.448 1.476 . . . . 0.0 113.912 -172.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 t -59.66 -38.28 81.03 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 121.161 1.801 . . . . 0.0 115.818 172.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -71.14 -40.62 71.28 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 168.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.258 79.5 mt -78.49 -93.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 125.133 1.373 . . . . 0.0 107.375 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.259 21.7 tptt 56.35 2.87 0.09 Allowed 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 119.406 3.114 . . . . 0.0 119.406 -169.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -161.23 -8.02 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.2 1.4 . . . . 0.0 114.625 -159.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.6 t -151.4 101.26 2.81 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 121.492 1.951 . . . . 0.0 111.343 -164.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.359 26.7 tt0 69.06 -9.07 0.62 Allowed 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 117.661 2.467 . . . . 0.0 117.661 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tt -70.73 -51.81 24.94 Favored 'General case' 0 CA--C 1.567 1.628 0 O-C-N 120.826 -1.171 . . . . 0.0 107.969 141.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 m -161.02 105.57 1.35 Allowed 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 -169.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.44 -34.88 28.0 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -69.73 -24.74 63.59 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 169.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . 0.283 0.6 OUTLIER -59.81 -19.67 52.2 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 162.554 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -58.81 -53.36 59.27 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 120.359 1.436 . . . . 0.0 114.585 168.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.74 -37.0 80.3 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 170.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -59.43 -43.83 93.01 Favored 'General case' 0 CA--C 1.567 1.63 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 168.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -64.36 -35.26 80.29 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 120.947 1.703 . . . . 0.0 114.387 174.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.6 m -64.46 -45.27 88.16 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 167.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.18 -47.11 87.65 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 173.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.8 m -74.06 -57.26 4.08 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.256 1.022 . . . . 0.0 112.788 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -64.01 -45.23 89.88 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -61.77 -32.61 72.89 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 115.778 1.769 . . . . 0.0 115.778 172.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -61.05 -43.12 99.36 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 167.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.79 -45.16 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 CA-C-N 119.398 0.999 . . . . 0.0 112.992 167.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -60.18 -40.78 91.22 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -50.88 -34.74 29.47 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 167.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -86.17 -62.99 1.39 Allowed 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 124.048 0.939 . . . . 0.0 111.617 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.8 mp -89.47 -52.58 4.95 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 125.039 1.335 . . . . 0.0 113.941 -171.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.318 29.3 mmtp 91.25 96.98 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 126.174 1.79 . . . . 0.0 109.507 -175.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mp -127.58 108.18 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 104.494 -2.41 . . . . 0.0 104.494 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.46 -64.65 0.81 Allowed 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 118.341 -0.837 . . . . 0.0 110.829 -179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 CA--C 1.576 1.957 0 CA-C-O 117.697 -1.144 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -79.55 103.63 1.62 Allowed 'Trans proline' 0 CA--C 1.561 1.837 0 C-N-CA 122.999 2.466 . . . . 0.0 110.963 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.336 12.4 m-20 71.25 -92.84 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 124.156 0.983 . . . . 0.0 110.957 -170.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.266 1.4 p -131.73 -60.92 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 123.456 0.702 . . . . 0.0 110.169 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m 54.04 51.25 14.98 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.254 15.7 t 52.18 62.32 2.76 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -167.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -101.81 -61.93 1.32 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.699 0.8 . . . . 0.0 110.235 171.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.99 -27.94 66.16 Favored 'General case' 0 CA--C 1.565 1.525 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 169.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -63.09 -52.11 63.96 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 119.996 1.271 . . . . 0.0 114.137 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -59.9 -30.29 68.92 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 171.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.8 mt -72.65 -42.38 64.42 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -69.3 -30.21 68.23 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 170.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -78.11 -48.23 16.47 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 119.71 1.141 . . . . 0.0 112.749 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -83.87 79.06 9.61 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.133 0.968 . . . . 0.0 109.237 163.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 172.71 -66.43 0.12 Allowed Glycine 0 CA--C 1.543 1.8 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 -166.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -59.06 -38.71 80.02 Favored 'General case' 0 CA--C 1.567 1.633 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 164.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.7 m -60.97 -58.67 7.47 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 119.419 1.009 . . . . 0.0 112.041 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -80.64 32.6 0.3 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 170.187 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -91.43 -66.02 0.96 Allowed 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 124.372 1.069 . . . . 0.0 108.746 158.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.18 -40.34 86.55 Favored 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -63.73 -37.0 85.73 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 173.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.8 96.37 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 167.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -54.75 -32.41 59.84 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 166.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -62.73 -39.25 93.51 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 167.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.06 -32.3 73.4 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 167.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.2 mm -64.92 -50.94 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 CA-C-N 120.924 1.693 . . . . 0.0 112.022 172.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.0 p -57.18 -43.08 82.3 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -57.15 -42.3 80.76 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 168.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.8 mm -61.47 -63.14 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 C-N-CA 124.664 1.186 . . . . 0.0 112.988 174.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -65.97 -2.93 4.44 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 119.693 3.22 . . . . 0.0 119.693 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -115.71 -19.21 10.61 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 115.818 1.784 . . . . 0.0 115.818 172.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.1 t -148.01 133.52 18.7 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.977 1.311 . . . . 0.0 108.087 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.563 5.2 pt-20 72.54 -23.78 0.2 Allowed 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 119.184 3.031 . . . . 0.0 119.184 -173.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.5 tp -72.9 -46.23 53.81 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 119.755 1.162 . . . . 0.0 110.868 144.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.6 m -76.29 -112.13 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 117.41 -1.281 . . . . 0.0 109.808 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.255 . . 66.31 -64.6 0.21 Allowed 'General case' 0 N--CA 1.506 2.357 0 CA-C-N 120.24 1.382 . . . . 0.0 114.624 -170.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -68.13 -40.83 82.36 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 123.981 0.912 . . . . 0.0 113.289 161.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 86.7 mmm -71.86 5.35 2.64 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 116.806 2.15 . . . . 0.0 116.806 169.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.8 ttp85 -135.07 -71.01 0.48 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 120.674 1.579 . . . . 0.0 110.749 -171.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.34 -53.74 26.88 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 50.4 t90 -60.95 -35.88 77.9 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 166.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -60.37 -44.91 95.15 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-N 120.902 1.683 . . . . 0.0 114.09 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.2 p -63.64 -40.61 97.32 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 171.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -63.84 -43.82 95.02 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 172.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.2 m -89.33 -58.64 2.46 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 117.712 -1.137 . . . . 0.0 112.191 -170.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -42.18 122.41 2.15 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 126.9 2.08 . . . . 0.0 116.01 -166.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.357 52.5 mt-30 114.31 -54.05 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 CA-C-N 110.889 -2.869 . . . . 0.0 109.774 -152.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -66.8 -34.33 77.57 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 162.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.23 -35.55 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-N 120.321 1.419 . . . . 0.0 113.315 162.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -68.66 -41.26 79.58 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 120.31 1.414 . . . . 0.0 114.474 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -56.3 -39.98 73.6 Favored 'General case' 0 CA--C 1.566 1.591 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 158.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -106.69 62.94 0.64 Allowed 'General case' 0 CA--C 1.564 1.503 0 C-N-CA 124.148 0.979 . . . . 0.0 111.225 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.447 ' H ' HD12 ' A' ' 53' ' ' LEU . 4.3 mp -47.13 -52.48 15.34 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 176.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -115.67 -80.49 0.6 Allowed 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 163.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.02 106.12 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 173.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -151.23 -88.64 0.06 Allowed 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -176.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.272 19.7 m . . . . . 0 N--CA 1.49 1.563 0 C-N-CA 124.917 1.287 . . . . 0.0 111.446 -176.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 CA--C 1.575 1.941 0 CA-C-O 118.545 -0.741 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -87.71 131.95 2.88 Favored 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 122.99 2.46 . . . . 0.0 112.57 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.371 11.6 t70 61.91 -96.6 0.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 173.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.483 HG13 ' H ' ' A' ' 5' ' ' SER 0.385 9.9 p -136.59 -131.12 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.53 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.483 ' H ' HG13 ' A' ' 4' ' ' VAL . 47.4 m 52.93 52.49 13.78 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -159.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 m 61.57 60.43 1.65 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -169.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.69 -40.31 25.64 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.18 -32.78 74.26 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 168.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.61 -46.31 90.74 Favored 'General case' 0 CA--C 1.568 1.661 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 165.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -64.77 -29.28 70.25 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 171.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -73.99 -41.43 61.93 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 173.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -69.18 -29.67 67.72 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 169.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -73.29 -52.63 13.25 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 118.103 -0.951 . . . . 0.0 112.422 169.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -86.36 79.87 8.88 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 122.216 1.007 . . . . 0.0 109.926 167.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 166.72 -43.68 0.26 Allowed Glycine 0 CA--C 1.547 2.094 0 CA-C-N 114.596 -1.184 . . . . 0.0 112.759 -171.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -55.89 -35.94 67.1 Favored 'General case' 0 CA--C 1.572 1.799 0 CA-C-N 119.497 1.648 . . . . 0.0 114.909 141.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 m -65.92 142.03 58.02 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 119.507 1.049 . . . . 0.0 109.333 154.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.365 3.0 mt 78.96 -29.46 0.15 Allowed 'General case' 0 N--CA 1.512 2.649 0 N-CA-C 118.08 2.622 . . . . 0.0 118.08 -171.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -91.14 -74.29 0.51 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.748 1.219 . . . . 0.0 111.796 172.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.87 -37.94 82.45 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 172.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -61.31 -37.73 84.3 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 170.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.22 75.26 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 166.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.8 ttm105 -85.13 69.45 10.78 Favored 'General case' 0 CA--C 1.568 1.635 0 CA-C-N 119.382 0.992 . . . . 0.0 110.656 171.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 171.83 -60.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 -162.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.2 tp -67.46 -48.0 68.45 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 170.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -67.44 -44.75 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 CA-C-O 118.003 -0.998 . . . . 0.0 111.769 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m -55.88 -37.7 69.19 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 172.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -69.34 -41.72 76.25 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 168.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.276 25.4 mm -73.49 -85.96 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 C-N-CA 124.684 1.194 . . . . 0.0 109.126 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? 54.05 63.93 2.01 Favored 'General case' 0 N--CA 1.499 2.025 0 C-N-CA 124.561 1.145 . . . . 0.0 113.235 -173.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.272 7.4 tt0 58.47 64.31 1.5 Allowed 'General case' 0 CA--C 1.567 1.632 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -166.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t 80.22 136.62 0.06 Allowed 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 125.631 1.572 . . . . 0.0 111.109 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -74.41 24.01 0.09 Allowed 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 170.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -92.28 -43.5 9.25 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.891 1.276 . . . . 0.0 109.102 156.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -67.06 -160.03 0.02 OUTLIER 'General case' 0 CA--C 1.574 1.903 0 CA-C-O 121.465 0.65 . . . . 0.0 112.753 148.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 64.37 -53.16 0.28 Allowed 'General case' 0 N--CA 1.505 2.321 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -149.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -71.16 -38.46 72.18 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 169.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.8 mmm -62.07 -44.48 96.58 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 165.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.9 -38.8 79.84 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.83 -40.39 88.3 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 164.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -65.47 -42.57 92.11 Favored 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 170.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -63.3 -38.47 91.28 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 120.987 1.721 . . . . 0.0 114.105 177.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -66.12 -45.46 81.01 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 169.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.87 -39.01 87.39 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 174.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.0 m -64.62 -42.09 95.74 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 119.476 1.034 . . . . 0.0 113.716 171.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -56.03 -47.82 77.12 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 115.008 1.485 . . . . 0.0 115.008 167.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -60.11 -34.64 73.78 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 168.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -62.83 -43.03 99.89 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 174.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 t -61.84 -43.69 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 CA-C-N 119.6 1.091 . . . . 0.0 113.212 167.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -65.2 -44.25 88.99 Favored 'General case' 0 CA--C 1.562 1.431 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -57.51 -36.11 71.13 Favored 'General case' 0 CA--C 1.566 1.593 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 163.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -112.52 49.76 0.91 Allowed 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 118.964 0.802 . . . . 0.0 112.222 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -78.28 164.36 24.94 Favored 'General case' 0 CA--C 1.567 1.627 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -176.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -84.26 111.44 19.39 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.2 pp -136.33 87.47 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -142.61 -92.73 0.13 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.259 34.2 m . . . . . 0 N--CA 1.491 1.601 0 C-N-CA 124.755 1.222 . . . . 0.0 112.279 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 49.3 m . . . . . 0 CA--C 1.568 1.654 0 CA-C-O 117.531 -1.223 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -77.37 107.34 2.38 Favored 'Trans proline' 0 CA--C 1.562 1.894 0 C-N-CA 122.802 2.334 . . . . 0.0 111.597 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -154.3 147.41 24.68 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 122.046 0.927 . . . . 0.0 110.826 -175.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.0 t -86.07 146.32 6.61 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.86 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.426 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -144.49 73.8 1.39 Allowed 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 172.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.257 40.8 m 47.83 44.37 18.03 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 117.067 2.247 . . . . 0.0 117.067 -164.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.39 -55.79 3.52 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.435 0.694 . . . . 0.0 111.871 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.2 -41.74 99.22 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 168.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -56.68 -50.22 72.76 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.39 -40.83 95.8 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 170.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.39 -27.75 62.61 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 170.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -61.71 -54.69 39.23 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 120.903 1.683 . . . . 0.0 115.002 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.29 2.4 pm0 -74.07 -53.57 9.68 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -174.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.266 7.5 p90 -71.16 -22.87 61.99 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 172.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.87 -53.61 39.56 Favored Glycine 0 N--CA 1.49 2.252 0 CA-C-N 119.668 1.122 . . . . 0.0 114.795 165.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -56.14 -33.31 65.06 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 167.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 m -58.42 -51.85 68.09 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 119.468 1.031 . . . . 0.0 112.804 167.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.336 3.1 pp -75.45 4.47 7.34 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 119.177 3.029 . . . . 0.0 119.177 170.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -78.07 -60.65 2.29 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.88 0.872 . . . . 0.0 110.784 162.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -56.58 -43.77 80.38 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 171.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -63.02 -37.1 85.82 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 173.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.63 -49.83 61.07 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 173.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -61.55 -36.73 81.44 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 173.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.9 -50.06 72.35 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 117.208 -1.377 . . . . 0.0 114.095 166.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -93.38 45.77 1.18 Allowed 'General case' 0 CA--C 1.57 1.743 0 CA-C-N 120.453 1.479 . . . . 0.0 114.33 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.4 mt -123.62 -54.46 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 154.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.8 t -78.0 90.56 4.18 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-N 120.684 1.583 . . . . 0.0 109.589 167.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 148.82 -63.61 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 126.533 1.933 . . . . 0.0 106.143 -154.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.289 51.9 mt -74.22 -84.07 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.568 1.635 0 C-N-CA 124.406 1.082 . . . . 0.0 108.775 177.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm 55.56 60.24 3.44 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -176.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 50.33 45.02 26.5 Favored 'General case' 0 CA--C 1.575 1.94 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 -170.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.9 t -169.55 151.21 4.31 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.159 0.984 . . . . 0.0 109.01 -168.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.54 6.8 pt-20 69.3 -38.4 0.4 Allowed 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 118.947 2.943 . . . . 0.0 118.947 -175.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.5 -46.02 70.76 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 118.074 0.397 . . . . 0.0 111.143 149.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.7 t -94.19 -126.3 0.11 Allowed 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 160.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 62.31 -49.41 0.17 Allowed 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 116.279 1.955 . . . . 0.0 116.279 -157.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -77.02 -45.03 28.64 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.751 1.221 . . . . 0.0 112.456 171.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 95.4 mmm -60.25 -43.16 96.37 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 166.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -94.04 89.93 6.23 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 120.365 1.438 . . . . 0.0 108.217 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 151.04 -68.1 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 104.415 -2.439 . . . . 0.0 104.415 -151.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -57.8 -38.17 75.04 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 166.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -65.53 -41.17 93.38 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-N 120.223 1.374 . . . . 0.0 113.62 178.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.4 t -92.46 75.65 5.16 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 122.09 0.947 . . . . 0.0 110.247 169.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 174.02 -64.46 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 105.086 -2.19 . . . . 0.0 105.086 -166.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.7 m -65.75 -55.38 17.61 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 124.511 1.125 . . . . 0.0 112.496 169.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -96.07 114.81 26.55 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 123.01 1.386 . . . . 0.0 107.758 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.456 0.0 OUTLIER 126.72 -50.73 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 110.825 -2.898 . . . . 0.0 110.811 -153.069 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -35.94 82.39 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 161.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.6 t -58.54 -53.02 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 CA-C-N 119.758 1.163 . . . . 0.0 112.122 162.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -58.13 -49.5 76.77 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -172.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.67 -26.8 46.63 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 118.144 2.646 . . . . 0.0 118.144 171.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -86.5 -60.55 1.96 Allowed 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 118.922 0.783 . . . . 0.0 110.68 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -131.14 132.55 44.86 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 124.475 1.11 . . . . 0.0 108.145 171.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -78.6 109.11 12.51 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 120.69 1.587 . . . . 0.0 110.584 -171.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.6 mt -119.63 110.27 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 N-CA-C 103.992 -2.596 . . . . 0.0 103.992 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -74.03 -63.85 1.13 Allowed 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 118.442 -0.789 . . . . 0.0 113.026 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.1 p . . . . . 0 N--CA 1.487 1.391 0 CA-C-N 119.705 1.139 . . . . 0.0 111.914 176.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.368 6.3 t . . . . . 0 CA--C 1.572 1.796 0 N-CA-C 117.508 2.411 . . . . 0.0 117.508 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.58 107.6 1.4 Allowed 'Trans proline' 0 C--N 1.372 1.773 0 CA-C-N 125.834 3.119 . . . . 0.0 111.444 -172.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -133.21 121.25 22.24 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -172.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.263 11.5 p -84.29 -76.78 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.636 0.774 . . . . 0.0 110.869 -176.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t 52.24 55.09 9.68 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -170.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 m 57.4 66.19 1.2 Allowed 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.277 1.031 . . . . 0.0 113.653 -172.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.73 -63.48 1.4 Allowed 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.544 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.8 mt -73.24 -18.84 61.19 Favored 'General case' 0 CA--C 1.565 1.555 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 172.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -73.73 -54.92 6.97 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-N 120.59 1.541 . . . . 0.0 112.94 172.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.88 -55.59 18.46 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-N 119.179 0.9 . . . . 0.0 113.153 173.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mp -92.13 78.33 5.22 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 171.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -80.75 -51.57 8.5 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 175.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.04 -37.57 61.66 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 174.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -69.89 -39.81 76.03 Favored 'General case' 0 CA--C 1.564 1.513 0 CA-C-N 119.658 1.117 . . . . 0.0 113.802 170.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.77 -49.51 70.06 Favored Glycine 0 N--CA 1.492 2.396 0 CA-C-N 119.983 1.265 . . . . 0.0 115.984 167.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -53.49 -31.61 46.66 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 117.254 2.316 . . . . 0.0 117.254 167.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.4 m -62.59 -61.68 2.26 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-N 119.999 1.272 . . . . 0.0 112.397 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.298 2.3 pt? -78.5 4.12 14.15 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 119.209 3.04 . . . . 0.0 119.209 176.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.84 -56.71 3.94 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.189 0.996 . . . . 0.0 111.502 163.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.22 -40.21 95.59 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 172.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -60.59 -47.89 84.19 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.12 96.62 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 171.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -57.21 -45.67 83.59 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 168.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.31 -21.22 66.68 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 116.991 2.219 . . . . 0.0 116.991 172.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.19 -39.99 95.16 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 120.741 1.61 . . . . 0.0 115.11 169.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mp -66.6 -46.59 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 CA-C-N 120.821 1.646 . . . . 0.0 112.443 173.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.1 p -59.58 -30.0 68.35 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 170.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -67.19 -40.18 86.47 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 163.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.296 75.7 mt -81.22 -93.62 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.457 0 C-N-CA 125.025 1.33 . . . . 0.0 107.515 -177.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.296 75.8 mmtt 56.46 -10.48 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 120.612 3.56 . . . . 0.0 120.612 -164.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -147.82 -88.33 0.09 Allowed 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 104.58 -2.378 . . . . 0.0 104.58 -172.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.2 t -163.48 82.91 0.47 Allowed 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 164.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.369 11.3 pt-20 34.65 32.02 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 N-CA-C 120.426 3.491 . . . . 0.0 120.426 -158.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.4 tt -83.5 -54.5 4.91 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.214 1.005 . . . . 0.0 109.974 169.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.4 t -71.45 -8.39 53.57 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 120.677 3.584 . . . . 0.0 120.677 -166.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.42 -28.11 11.98 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 122.451 2.387 . . . . 0.0 117.051 151.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -70.82 -46.86 62.01 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 123.706 0.803 . . . . 0.0 113.091 167.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 80.4 mmm -58.52 -24.8 61.46 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 169.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -74.32 134.96 42.55 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 121.107 1.776 . . . . 0.0 110.112 166.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.352 18.0 mm-40 103.26 -61.61 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.772 0 C-N-CA 125.048 1.339 . . . . 0.0 108.828 -159.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -60.12 -38.77 84.01 Favored 'General case' 0 CA--C 1.567 1.597 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 168.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -63.14 -39.79 95.71 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 120.622 1.556 . . . . 0.0 114.254 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.5 m -66.96 -44.27 80.98 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 171.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -52.0 -50.37 61.48 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 166.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.7 m -88.35 20.06 3.49 Favored 'General case' 0 CA--C 1.573 1.851 0 C-N-CA 124.799 1.239 . . . . 0.0 113.875 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -81.61 102.43 10.65 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 124.456 2.074 . . . . 0.0 110.105 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.324 12.5 pt20 156.67 -61.3 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 109.192 -3.64 . . . . 0.0 107.41 -157.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -79.18 -43.02 24.74 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 119.076 0.853 . . . . 0.0 112.97 168.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.2 t -56.2 -43.59 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 C-N-CA 124.219 1.008 . . . . 0.0 113.495 162.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -61.03 -52.4 65.14 Favored 'General case' 0 CA--C 1.562 1.429 0 N-CA-C 114.501 1.296 . . . . 0.0 114.501 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.3 -26.45 64.98 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 117.63 2.456 . . . . 0.0 117.63 167.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -92.3 -42.51 9.78 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -175.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . 0.378 6.0 mp 85.09 -83.45 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.073 0 C-N-CA 125.176 1.39 . . . . 0.0 109.865 -175.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.263 35.1 mtmm 75.93 148.16 0.1 Allowed 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 124.553 1.141 . . . . 0.0 113.261 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.8 tp -59.9 -32.09 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.768 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 171.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.53 -81.19 0.06 Allowed 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 119.415 1.007 . . . . 0.0 110.202 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.6 p . . . . . 0 N--CA 1.486 1.343 0 CA-C-N 119.138 0.881 . . . . 0.0 108.807 168.115 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 CA--C 1.571 1.774 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.73 115.91 4.43 Favored 'Trans proline' 0 CA--C 1.562 1.912 0 C-N-CA 123.117 2.544 . . . . 0.0 111.224 174.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.2 t70 56.89 95.34 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.865 1.266 . . . . 0.0 113.402 -168.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.449 HG13 ' H ' ' A' ' 5' ' ' SER 0.288 14.3 p -82.64 -83.56 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.952 -168.761 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.449 ' H ' HG13 ' A' ' 4' ' ' VAL . 11.5 t 51.9 57.07 6.91 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -168.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m 58.58 63.07 1.78 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -172.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.14 -58.77 2.99 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.66 -8.44 57.26 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 172.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -83.03 -58.47 2.85 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 120.803 1.638 . . . . 0.0 111.825 169.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -64.78 -54.5 30.22 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-N 119.451 1.023 . . . . 0.0 113.448 175.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.0 mt -98.24 79.77 2.59 Favored 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 172.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -74.99 -52.82 10.15 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.7 -46.08 59.85 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 168.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -74.01 -34.55 64.2 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.91 -22.64 78.71 Favored Glycine 0 CA--C 1.552 2.389 0 N-CA-C 117.225 1.65 . . . . 0.0 117.225 164.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -81.76 -152.34 0.1 Allowed 'General case' 0 CA--C 1.58 2.127 0 CA-C-N 119.572 1.686 . . . . 0.0 109.436 155.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.44 24.9 m 67.75 -87.2 0.03 OUTLIER 'General case' 0 CA--C 1.565 1.541 0 O-C-N 120.492 -1.38 . . . . 0.0 113.784 169.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.3 pt? -70.66 -3.46 18.52 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 119.055 2.983 . . . . 0.0 119.055 168.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.8 -56.71 4.41 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 124.836 1.254 . . . . 0.0 112.035 166.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.63 -42.04 98.33 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -56.55 -46.17 80.84 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.73 -49.1 72.15 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -57.88 -38.65 76.16 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 170.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -63.38 -44.74 93.89 Favored 'General case' 0 CA--C 1.567 1.617 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 169.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.9 mp -71.47 -48.75 47.26 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.41 -45.01 99.8 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.832 0 CA-C-O 117.436 -1.269 . . . . 0.0 112.488 175.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.9 p -56.43 -39.07 72.46 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 117.041 2.238 . . . . 0.0 117.041 171.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -65.99 -48.92 69.61 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 170.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.312 1.7 mp -71.77 -78.76 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.537 0 C-N-CA 124.81 1.244 . . . . 0.0 109.78 -177.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 54.11 64.0 1.98 Allowed 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 124.356 1.062 . . . . 0.0 113.173 -172.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.251 8.3 tt0 57.27 64.71 1.54 Allowed 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 124.606 1.162 . . . . 0.0 114.0 -170.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -137.73 -93.73 0.21 Allowed 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 117.707 -1.139 . . . . 0.0 110.024 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -71.26 0.4 8.04 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 166.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -72.9 -49.32 30.36 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.939 -1.101 . . . . 0.0 111.214 155.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.2 m -84.26 -103.63 0.05 OUTLIER 'General case' 0 CA--C 1.558 1.279 0 CA-C-O 117.361 -1.304 . . . . 0.0 110.134 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.297 . . 74.78 -68.75 0.2 Allowed 'General case' 0 N--CA 1.505 2.28 0 CA-C-N 120.165 1.348 . . . . 0.0 112.766 -175.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -68.69 -45.42 71.7 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 118.418 -0.801 . . . . 0.0 112.845 162.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 89.7 mmm -61.2 -29.93 70.11 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 170.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.7 mmm-85 -63.15 -36.56 84.02 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 121.407 1.912 . . . . 0.0 115.641 170.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -59.69 -45.54 91.79 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 165.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -60.62 -38.21 83.99 Favored 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 168.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -66.87 -36.05 81.42 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 121.251 1.841 . . . . 0.0 113.947 172.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.7 p -84.47 73.37 10.52 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 123.633 0.773 . . . . 0.0 111.245 171.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 161.01 -68.51 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 -156.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.5 m -96.98 -11.99 23.89 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -169.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -83.61 105.32 14.43 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 121.674 2.034 . . . . 0.0 109.048 -174.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.321 12.9 pt20 157.3 -59.35 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 109.556 -3.475 . . . . 0.0 107.446 -153.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -69.21 -53.99 17.13 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-N 119.239 0.927 . . . . 0.0 112.206 162.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -53.01 -45.07 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 170.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -58.86 -41.49 87.15 Favored 'General case' 0 CA--C 1.565 1.536 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 176.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.29 -22.28 66.82 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 169.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -79.34 -46.26 18.02 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 120.302 1.41 . . . . 0.0 112.842 169.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.53 -50.85 69.72 Favored 'General case' 0 CA--C 1.565 1.532 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -69.73 -36.02 75.5 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 173.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.303 23.5 mm 73.87 99.69 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 125.202 1.401 . . . . 0.0 108.542 -171.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -73.17 -70.95 0.33 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 118.547 -0.739 . . . . 0.0 112.0 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 N--CA 1.483 1.216 0 CA-C-N 119.058 0.845 . . . . 0.0 109.818 175.361 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 CA--C 1.574 1.874 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -87.79 98.38 0.43 Allowed 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 122.88 2.387 . . . . 0.0 110.729 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -94.56 116.51 28.86 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -171.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.558 HG13 ' H ' ' A' ' 5' ' ' SER 0.332 14.8 p -138.27 -113.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -170.268 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.558 ' H ' HG13 ' A' ' 4' ' ' VAL . 48.5 m 50.26 46.53 24.84 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -164.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 m -157.98 -62.83 0.09 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.596 1.159 . . . . 0.0 108.669 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.54 88.11 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 160.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.84 -36.78 79.99 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 164.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -52.26 -51.02 60.86 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 168.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -94.63 64.05 2.96 Favored 'General case' 0 CA--C 1.566 1.578 0 CA-C-O 121.63 0.728 . . . . 0.0 111.575 167.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 tp -135.53 -68.11 0.52 Allowed 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 168.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -48.97 77.06 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 169.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -95.39 77.11 3.39 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 121.748 0.785 . . . . 0.0 109.245 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -156.8 -52.55 0.08 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.372 1.069 . . . . 0.0 109.481 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.74 -42.49 93.14 Favored Glycine 0 CA--C 1.554 2.522 0 CA-C-N 120.393 1.451 . . . . 0.0 115.267 158.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.03 -28.07 66.07 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 165.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.9 m -62.5 -59.47 4.91 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.046 1.294 . . . . 0.0 112.867 177.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.282 2.3 pt? -75.71 2.85 10.98 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 118.786 2.884 . . . . 0.0 118.786 171.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -77.94 -58.28 3.35 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.144 0.977 . . . . 0.0 111.077 163.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -61.72 -43.46 98.8 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 174.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -55.19 -50.03 70.41 Favored 'General case' 0 CA--C 1.565 1.532 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 171.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.96 96.38 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 172.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -58.33 -45.4 88.16 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 170.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.92 -42.86 99.58 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 170.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.1 -52.51 41.04 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 119.491 1.041 . . . . 0.0 113.658 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.05 -47.53 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 CA-C-O 117.901 -1.047 . . . . 0.0 113.022 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.8 m -60.04 -39.67 86.71 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.6 ttp-105 -66.59 -39.64 88.52 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 169.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.282 25.5 mm -72.73 -87.59 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 124.979 1.311 . . . . 0.0 109.179 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 52.31 15.21 0.44 Allowed 'General case' 0 N--CA 1.503 2.184 0 N-CA-C 118.686 2.847 . . . . 0.0 118.686 -169.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -149.81 -40.92 0.14 Allowed 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -161.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -126.75 105.42 8.66 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.979 0.912 . . . . 0.0 109.525 -173.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.38 18.9 tt0 78.33 -21.01 0.35 Allowed 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 117.542 2.423 . . . . 0.0 117.542 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.2 -49.2 52.67 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 119.858 1.208 . . . . 0.0 110.772 150.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.4 m -86.59 -108.23 0.06 Allowed 'General case' 0 CA--C 1.559 1.29 0 CA-C-O 117.464 -1.255 . . . . 0.0 109.521 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.284 . . 68.88 -67.52 0.21 Allowed 'General case' 0 N--CA 1.506 2.342 0 CA-C-N 120.085 1.312 . . . . 0.0 113.951 -169.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -73.39 -36.46 66.04 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 166.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 94.6 mmm -62.31 -35.73 79.94 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 164.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -54.87 -48.22 73.25 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 120.98 1.718 . . . . 0.0 114.7 169.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.49 -41.96 98.06 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 170.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -64.65 -40.49 95.53 Favored 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 173.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -65.43 -31.05 71.94 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 120.623 1.556 . . . . 0.0 114.35 175.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.7 m -66.8 -48.92 67.47 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 165.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -54.1 -42.29 69.23 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 172.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.6 m -83.48 -47.75 11.03 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 117.953 -1.022 . . . . 0.0 112.751 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -80.69 102.96 10.21 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 124.469 2.081 . . . . 0.0 109.627 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.336 9.5 pt20 161.34 -59.67 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 109.235 -3.62 . . . . 0.0 107.86 -159.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -67.73 -46.34 72.45 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 119.39 0.996 . . . . 0.0 113.002 161.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.5 t -60.35 -44.62 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 C-N-CA 123.753 0.821 . . . . 0.0 113.173 168.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -60.78 -52.36 65.41 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.84 -24.65 64.37 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 168.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -77.67 -60.2 2.46 Favored 'General case' 0 CA--C 1.562 1.421 0 CA-C-N 119.258 0.936 . . . . 0.0 112.136 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . 0.258 2.1 pt? -146.58 -36.12 0.25 Allowed 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -172.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.358 54.5 mtmt 79.65 -79.52 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 124.999 1.32 . . . . 0.0 110.5 -166.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.451 HD12 ' H ' ' A' ' 56' ' ' ASP 0.319 1.1 pp -133.86 -65.07 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 C-N-CA 124.013 0.925 . . . . 0.0 110.222 176.646 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.451 ' H ' HD12 ' A' ' 55' ' ' ILE . 11.3 m-20 -106.76 -90.64 0.42 Allowed 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 118.135 -0.936 . . . . 0.0 108.491 -178.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.252 14.6 t . . . . . 0 N--CA 1.49 1.54 0 C-N-CA 124.77 1.228 . . . . 0.0 112.915 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 CA--C 1.575 1.908 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -73.67 117.56 5.1 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 122.945 2.43 . . . . 0.0 113.535 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -89.85 147.7 23.62 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.345 0.658 . . . . 0.0 111.187 -175.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.532 ' H ' ' H ' ' A' ' 7' ' ' ALA 0.431 93.9 t -107.29 -99.41 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-O 116.898 -1.525 . . . . 0.0 108.297 -172.477 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 t -91.49 64.83 5.11 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 122.128 2.24 . . . . 0.0 109.033 163.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m 50.3 46.8 24.65 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -156.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.532 ' H ' ' H ' ' A' ' 4' ' ' VAL . . . -75.48 -59.83 2.57 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -173.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 mp -78.14 7.9 5.6 Favored 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 171.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.8 -52.35 38.14 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 119.771 1.169 . . . . 0.0 113.302 173.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -64.39 -55.37 21.53 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 170.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.3 mt -89.88 74.68 7.35 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 118.836 0.744 . . . . 0.0 110.003 171.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -86.88 -36.96 18.12 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 174.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -43.77 97.93 Favored 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 164.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -92.49 80.79 4.85 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.235 1.017 . . . . 0.0 108.405 168.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.66 -62.32 0.18 Allowed Glycine 0 CA--C 1.54 1.596 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.615 -163.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.58 -43.2 99.4 Favored 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 168.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.253 9.2 t -61.34 -54.32 45.29 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 176.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.1 pt? -84.1 26.19 0.77 Allowed 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 116.838 2.162 . . . . 0.0 116.838 170.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -89.68 -61.83 1.61 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 123.961 0.904 . . . . 0.0 109.775 155.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -63.61 -44.89 92.65 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -62.33 -39.52 93.36 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 173.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.6 -49.32 73.79 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 173.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -56.67 -46.02 81.38 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 171.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.83 -37.41 76.38 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 168.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 tp -66.24 -32.31 73.65 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 171.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.0 mm -64.53 -45.37 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 CA-C-N 120.475 1.489 . . . . 0.0 112.305 168.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.0 m -55.35 -36.49 66.36 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -66.79 -46.85 73.93 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 166.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.258 80.0 mt -68.31 -79.7 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 C-N-CA 124.857 1.263 . . . . 0.0 110.371 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt 59.2 72.54 0.52 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.613 1.165 . . . . 0.0 112.491 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.326 5.7 tt0 76.37 -26.43 0.19 Allowed 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 117.838 2.532 . . . . 0.0 117.838 -174.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.7 p -65.6 164.11 14.88 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -172.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.573 0.2 OUTLIER 68.27 -30.23 0.17 Allowed 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 119.577 3.177 . . . . 0.0 119.577 -174.744 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.5 tp -73.46 -47.1 44.12 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 118.902 0.774 . . . . 0.0 110.398 142.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.9 m -83.34 -125.19 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 118.161 -0.923 . . . . 0.0 108.736 169.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.265 . . 66.47 -65.73 0.19 Allowed 'General case' 0 N--CA 1.505 2.312 0 CA-C-N 119.813 1.188 . . . . 0.0 113.397 -161.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -62.16 -40.42 95.91 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 161.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 89.4 mmm -69.55 -44.08 71.65 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 117.441 -1.266 . . . . 0.0 113.725 170.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -83.65 84.34 7.58 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 120.545 1.52 . . . . 0.0 109.652 172.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 159.05 -66.53 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 104.682 -2.34 . . . . 0.0 104.682 -158.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -57.35 -38.72 74.59 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 165.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -62.78 -38.26 89.95 Favored 'General case' 0 N--CA 1.503 2.179 0 CA-C-N 120.468 1.485 . . . . 0.0 114.029 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.2 t -67.25 -48.9 66.36 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 170.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.47 -40.28 95.4 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 176.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.9 m -64.13 -40.78 96.91 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 171.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.48 -51.85 68.14 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 168.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -55.41 -35.91 65.87 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 116.482 2.03 . . . . 0.0 116.482 171.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -57.89 -40.54 80.54 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 169.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 t -58.37 -49.61 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-N 119.421 1.01 . . . . 0.0 112.863 167.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HA ' ' H ' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -62.9 -48.5 78.71 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -178.15 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -53.46 -32.08 48.47 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 116.62 2.082 . . . . 0.0 116.62 169.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -81.89 -60.84 2.09 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 118.46 -0.781 . . . . 0.0 112.445 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . 0.279 0.9 OUTLIER -140.05 -42.1 0.43 Allowed 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -165.076 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -79.89 -57.84 3.46 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 120.116 1.325 . . . . 0.0 113.644 -165.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.465 ' H ' ' HA ' ' A' ' 50' ' ' LYS 0.328 63.3 mt 80.26 118.38 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 124.706 1.202 . . . . 0.0 109.225 172.636 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . 0.333 14.5 t70 76.29 -86.81 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.194 0 C-N-CA 124.514 1.125 . . . . 0.0 111.967 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 N--CA 1.487 1.376 0 C-N-CA 123.317 0.647 . . . . 0.0 111.006 -172.132 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 42.2 p . . . . . 0 CA--C 1.573 1.846 0 CA-C-O 118.373 -0.823 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.3 131.97 17.19 Favored 'Trans proline' 0 CA--C 1.561 1.836 0 C-N-CA 123.026 2.484 . . . . 0.0 112.862 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.344 11.7 m-20 72.62 -93.69 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 124.197 0.999 . . . . 0.0 111.243 -177.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.369 8.2 p -135.88 -146.61 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.335 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.25 10.8 t 59.88 60.19 2.24 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 124.154 0.982 . . . . 0.0 112.468 -151.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.261 8.9 t 67.12 68.71 0.4 Allowed 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.359 1.064 . . . . 0.0 112.891 -173.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.46 -59.78 0.19 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.938 0.895 . . . . 0.0 109.317 172.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.4 tp -68.34 -42.15 79.69 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 157.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -32.54 71.59 Favored 'General case' 0 CA--C 1.564 1.513 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 166.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -67.53 -62.46 1.41 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 120.024 1.284 . . . . 0.0 111.902 165.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.8 -34.07 62.28 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 117.684 2.475 . . . . 0.0 117.684 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -54.67 -34.09 61.73 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 117.403 2.371 . . . . 0.0 117.403 173.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -130.62 62.83 1.59 Allowed 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 121.675 0.75 . . . . 0.0 110.933 162.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -156.35 -57.11 0.09 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.616 -1.183 . . . . 0.0 108.563 174.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.42 -44.44 84.25 Favored Glycine 0 N--CA 1.492 2.432 0 CA-C-N 120.725 1.602 . . . . 0.0 115.125 164.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -54.84 -35.06 63.57 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 116.458 2.021 . . . . 0.0 116.458 164.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.7 m -60.94 -63.72 1.2 Allowed 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 117.266 -1.349 . . . . 0.0 112.384 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.3 2.0 pt? -73.72 1.19 10.87 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 175.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -81.07 -56.87 3.81 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 124.179 0.991 . . . . 0.0 111.908 166.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.08 -36.52 82.17 Favored 'General case' 0 CA--C 1.567 1.596 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 171.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -61.79 -46.06 91.18 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.42 84.44 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 116.358 1.984 . . . . 0.0 116.358 170.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 ttm105 -60.15 -47.8 84.42 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 170.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.88 -42.48 98.03 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 169.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.0 tp -58.33 -48.42 80.61 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 173.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.87 -35.73 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 C-N-CA 124.19 0.996 . . . . 0.0 113.637 172.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.2 m -58.12 -46.56 85.39 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 172.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -71.2 -49.66 41.22 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 172.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.267 1.7 mp -71.29 -74.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 C-N-CA 124.627 1.171 . . . . 0.0 109.747 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 tptp 55.79 59.44 3.81 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.768 1.227 . . . . 0.0 114.299 -177.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.256 54.8 mt-30 52.71 60.99 3.41 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -169.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -154.56 110.4 3.18 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.39 22.5 tt0 78.93 -26.22 0.18 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 -169.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -76.44 -42.44 43.94 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 119.305 0.957 . . . . 0.0 110.335 150.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.7 m -128.57 89.57 2.92 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 123.341 1.544 . . . . 0.0 109.69 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.6 -31.7 7.99 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 113.451 -1.704 . . . . 0.0 112.512 147.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -74.75 -41.88 59.29 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 170.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.3 mmm -62.82 -40.15 96.49 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 116.847 -1.549 . . . . 0.0 114.807 166.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -66.34 -41.94 88.85 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 121.55 1.977 . . . . 0.0 115.797 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.09 -40.21 92.86 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 166.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -60.82 -40.24 92.02 Favored 'General case' 0 CA--C 1.566 1.583 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 169.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -65.95 -35.83 81.67 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 121.129 1.786 . . . . 0.0 113.963 174.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -89.64 77.37 7.17 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.579 0.704 . . . . 0.0 109.951 168.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 164.37 -71.4 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 104.343 -2.466 . . . . 0.0 104.343 -161.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.6 m -92.59 66.96 4.58 Favored 'General case' 0 CA--C 1.572 1.81 0 CA-C-O 123.124 1.44 . . . . 0.0 109.001 168.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -92.1 -62.91 1.31 Allowed 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.725 -169.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -63.96 -36.24 83.32 Favored 'General case' 0 CA--C 1.566 1.568 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 174.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -60.71 -26.66 67.32 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 171.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.1 t -88.8 -54.64 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 CA-C-N 119.65 1.113 . . . . 0.0 110.82 166.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -65.95 -52.21 51.71 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 -165.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -75.2 -12.03 60.2 Favored 'General case' 0 CA--C 1.563 1.479 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 173.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -88.49 -45.77 9.66 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 120.705 1.593 . . . . 0.0 111.7 173.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.3 mt -91.03 85.61 5.99 Favored 'General case' 0 CA--C 1.564 1.502 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 169.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.44 -67.1 0.49 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.745 -0.597 . . . . 0.0 109.581 -171.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 93.7 mt -72.6 -57.28 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 C-N-CA 123.577 0.751 . . . . 0.0 109.782 171.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -54.37 -51.18 65.63 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 116.785 2.142 . . . . 0.0 116.785 173.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.164 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.366 6.2 t . . . . . 0 CA--C 1.573 1.834 0 N-CA-C 117.523 2.416 . . . . 0.0 117.523 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -83.73 110.15 1.6 Allowed 'Trans proline' 0 CA--C 1.56 1.802 0 CA-C-N 125.786 3.102 . . . . 0.0 111.609 -171.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -93.67 124.17 37.49 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.14 0.576 . . . . 0.0 109.616 -176.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 t -134.42 -48.72 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-O 117.708 -1.139 . . . . 0.0 111.198 -172.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -75.6 89.19 2.74 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 119.562 1.074 . . . . 0.0 111.354 -167.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.1 m 59.64 63.48 1.5 Allowed 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 113.864 -1.517 . . . . 0.0 113.484 -166.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.18 -62.4 1.45 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.297 0.639 . . . . 0.0 111.369 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.68 -39.36 88.08 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 171.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -50.9 -42.28 59.13 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 117.34 2.348 . . . . 0.0 117.34 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -68.11 -40.85 82.48 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.298 1.7 pt? -74.48 -34.21 63.05 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 174.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -65.81 -41.8 91.41 Favored 'General case' 0 N--CA 1.497 1.906 0 CA-C-N 120.699 1.59 . . . . 0.0 115.122 168.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.02 -32.17 73.5 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 168.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.39 -50.76 72.72 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 120.084 1.311 . . . . 0.0 113.479 167.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.18 -42.3 81.45 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 117.224 1.649 . . . . 0.0 117.224 170.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -59.39 -41.52 89.59 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 170.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.7 p -65.71 -58.22 6.21 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 117.209 -1.377 . . . . 0.0 113.87 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.359 1.4 pt? -75.68 -3.91 37.29 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 118.933 2.938 . . . . 0.0 118.933 177.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -75.83 -52.33 10.62 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.77 0.828 . . . . 0.0 112.488 160.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.83 -43.11 94.75 Favored 'General case' 0 CA--C 1.566 1.568 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 170.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -63.87 -40.66 97.08 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 173.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.81 97.44 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.68 1.734 . . . . 0.0 115.68 170.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -59.53 -43.24 93.51 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 168.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -56.07 -45.25 79.39 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 114.924 1.454 . . . . 0.0 114.924 167.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.66 -38.65 87.29 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 174.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.3 mt -62.7 -35.39 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 CA-C-N 119.594 1.088 . . . . 0.0 113.815 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.6 p -58.33 -39.92 80.73 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 169.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -71.59 -49.09 43.72 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 168.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.3 mm -73.09 -73.91 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 125.087 1.355 . . . . 0.0 110.73 -174.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.263 14.2 tptp 61.33 62.59 1.34 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.283 1.433 . . . . 0.0 113.73 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.301 6.2 tt0 51.77 59.71 4.37 Favored 'General case' 0 CA--C 1.565 1.557 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -170.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.7 m -58.64 -37.62 76.33 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 118.718 2.858 . . . . 0.0 118.718 172.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.372 11.2 tt0 66.44 3.06 2.68 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 117.467 2.395 . . . . 0.0 117.467 -161.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.3 tp -91.32 -51.28 5.37 Favored 'General case' 0 CA--C 1.561 1.4 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 146.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.9 m -112.76 131.73 55.55 Favored 'General case' 0 CA--C 1.556 1.197 0 CA-C-O 123.0 1.381 . . . . 0.0 108.049 166.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.34 . . 112.46 -47.62 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 113.134 -1.848 . . . . 0.0 108.618 -144.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -67.61 -36.03 80.07 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 153.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.9 mmm -78.93 5.84 10.64 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 117.203 2.297 . . . . 0.0 117.203 172.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.251 24.2 ptt85 -138.82 -56.73 0.62 Allowed 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 121.169 1.804 . . . . 0.0 112.698 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -70.35 -55.61 8.71 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 120.015 1.28 . . . . 0.0 112.8 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 49.8 t90 -64.16 -34.86 79.03 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 168.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -60.32 -40.35 90.27 Favored 'General case' 0 N--CA 1.5 2.055 0 CA-C-N 121.442 1.928 . . . . 0.0 114.425 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.8 t -61.9 -45.86 91.9 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 170.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -63.6 -36.54 84.15 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 116.534 2.05 . . . . 0.0 116.534 169.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.9 m -137.35 67.56 1.43 Allowed 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 123.282 1.515 . . . . 0.0 109.822 -165.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -148.0 -65.19 0.25 Allowed 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.145 169.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -71.08 -31.51 67.92 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 170.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -57.28 -43.46 83.15 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 165.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.41 -45.03 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 170.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -65.91 -42.99 89.47 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -61.56 -31.84 71.9 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 163.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -114.18 54.31 0.76 Allowed 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 119.47 1.032 . . . . 0.0 112.25 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.8 mt -81.14 119.27 23.37 Favored 'General case' 0 CA--C 1.568 1.635 0 O-C-N 121.169 -0.957 . . . . 0.0 109.436 171.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.45 149.44 17.07 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 119.838 1.199 . . . . 0.0 110.342 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.291 0.2 OUTLIER -66.36 -51.85 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 175.801 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -115.15 -93.37 0.49 Allowed 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.486 1.338 0 CA-C-N 119.689 1.131 . . . . 0.0 108.438 -179.13 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.368 6.2 t . . . . . 0 CA--C 1.573 1.853 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.66 111.22 1.73 Allowed 'Trans proline' 0 CA--C 1.56 1.804 0 CA-C-N 125.72 3.078 . . . . 0.0 111.599 -170.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -90.4 116.26 28.21 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -176.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.304 38.6 t -117.89 -79.01 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.462 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 -170.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t 50.5 61.68 3.09 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-N 120.585 1.539 . . . . 0.0 115.043 -174.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t 56.79 65.77 1.33 Allowed 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -170.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -136.46 -74.29 0.43 Allowed 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mp -100.52 55.38 0.89 Allowed 'General case' 0 CA--C 1.575 1.937 0 CA-C-O 123.426 1.584 . . . . 0.0 111.313 167.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -106.13 53.15 0.71 Allowed 'General case' 0 N--CA 1.504 2.247 0 CA-C-O 124.047 1.88 . . . . 0.0 113.573 -168.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt 51.24 50.88 18.07 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 111.764 -2.471 . . . . 0.0 114.652 -168.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.385 1.3 pt? 34.46 58.4 0.66 Allowed 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 118.172 2.656 . . . . 0.0 118.172 -166.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -72.41 -44.73 62.04 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 169.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.15 -50.91 13.31 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.816 1.246 . . . . 0.0 114.0 177.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -65.43 -42.16 92.74 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 172.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.2 -46.39 62.9 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 117.025 1.57 . . . . 0.0 117.025 170.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -61.34 -33.28 73.36 Favored 'General case' 0 CA--C 1.571 1.771 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 168.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.9 m -63.5 -60.0 3.92 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-N 119.955 1.252 . . . . 0.0 112.949 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.292 1.8 pt? -74.56 -0.12 16.69 Favored 'General case' 0 N--CA 1.502 2.125 0 N-CA-C 118.922 2.934 . . . . 0.0 118.922 172.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -76.25 -56.13 4.93 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 124.539 1.136 . . . . 0.0 111.832 163.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.45 -46.26 89.32 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 173.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -47.08 77.24 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 173.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.63 -31.0 72.03 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 169.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -61.88 -49.41 76.34 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 170.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.85 -38.84 92.33 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 171.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 mt -69.2 -47.33 65.14 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.74 -49.9 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 CA-C-O 117.545 -1.217 . . . . 0.0 111.594 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.9 m -81.3 87.67 6.12 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 120.443 1.474 . . . . 0.0 109.699 173.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 153.82 -63.48 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 105.79 -1.929 . . . . 0.0 105.79 -155.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.262 83.5 mt -69.34 -84.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 C-N-CA 125.184 1.393 . . . . 0.0 108.611 173.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.253 31.9 mmmt 56.27 11.59 0.83 Allowed 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 118.687 2.847 . . . . 0.0 118.687 -174.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -150.96 -44.91 0.12 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 124.552 1.141 . . . . 0.0 113.317 -161.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.1 t -111.03 103.08 11.51 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.985 0.914 . . . . 0.0 109.654 -176.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.37 19.8 tt0 76.97 -18.17 0.51 Allowed 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 117.442 2.386 . . . . 0.0 117.442 -176.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -71.22 -49.36 44.21 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 120.071 1.305 . . . . 0.0 110.737 153.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.3 t -85.2 -120.28 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.286 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 171.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 63.7 -47.42 0.26 Allowed 'General case' 0 N--CA 1.505 2.317 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -158.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -85.43 -38.68 18.39 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 124.316 1.046 . . . . 0.0 113.757 169.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 90.1 mmm -59.76 -28.38 67.34 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 116.757 -1.592 . . . . 0.0 114.883 163.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -84.04 114.53 21.8 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 121.932 2.151 . . . . 0.0 107.636 161.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.304 25.3 mt-10 126.68 -62.63 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.401 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 -152.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -62.56 -42.0 99.26 Favored 'General case' 0 CA--C 1.567 1.629 0 CA-C-O 116.971 -1.49 . . . . 0.0 114.661 165.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -64.64 -34.42 78.25 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 121.601 2.001 . . . . 0.0 114.355 175.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.2 p -68.22 -38.32 81.77 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 171.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -71.1 -54.22 11.88 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 168.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.0 m -90.33 65.93 6.38 Favored 'General case' 0 CA--C 1.573 1.847 0 CA-C-O 123.133 1.445 . . . . 0.0 109.963 175.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -88.97 -62.26 1.52 Allowed 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.905 -172.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -63.42 -33.94 76.65 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 176.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -59.85 -48.86 79.99 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 173.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.04 -52.31 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 CA-C-O 117.924 -1.036 . . . . 0.0 112.416 169.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -62.78 -31.71 72.73 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 118.114 2.635 . . . . 0.0 118.114 -165.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -58.9 -37.04 75.71 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 165.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -76.36 -42.18 45.63 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 169.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . 0.377 21.2 mt 98.39 -65.82 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 C-N-CA 126.008 1.723 . . . . 0.0 111.756 178.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 72.75 112.91 0.06 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 124.755 1.222 . . . . 0.0 111.169 -172.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.0 tp -65.98 -46.9 86.96 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.714 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 169.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -76.35 -76.09 0.17 Allowed 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 118.192 -0.909 . . . . 0.0 112.083 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.257 23.4 m . . . . . 0 N--CA 1.491 1.579 0 C-N-CA 124.694 1.198 . . . . 0.0 111.867 -174.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 CA--C 1.575 1.914 0 CA-C-O 117.798 -1.096 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.12 106.29 2.13 Favored 'Trans proline' 0 CA--C 1.56 1.797 0 C-N-CA 123.023 2.482 . . . . 0.0 111.438 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -95.2 116.77 29.18 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -174.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.25 74.2 t -114.41 -67.27 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.525 -169.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t 52.04 57.58 6.34 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -174.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m 52.97 60.3 3.88 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -170.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.99 -58.9 1.96 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.016 0.926 . . . . 0.0 110.418 173.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.57 -30.37 71.39 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 167.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -60.91 -47.53 85.97 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 172.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -70.02 -45.21 67.7 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 170.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.6 tp -67.07 -30.08 70.03 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -176.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -57.59 -41.19 80.68 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 176.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.49 -47.84 4.53 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.11 -45.36 77.45 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.0 -45.56 96.37 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 170.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -62.07 -36.16 80.82 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 172.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.8 m -61.24 -57.27 13.08 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.813 1.188 . . . . 0.0 112.105 170.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.288 3.5 pp -66.77 -3.54 6.99 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 119.719 3.229 . . . . 0.0 119.719 172.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -78.68 -60.34 2.42 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 124.59 1.156 . . . . 0.0 111.028 168.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -63.09 -38.15 90.03 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -58.18 -45.87 86.77 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 172.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.82 -38.25 83.01 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 172.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -61.81 -45.38 94.11 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 170.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.95 -41.65 96.71 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 169.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.4 tp -66.32 -44.24 83.9 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.7 mt -64.58 -42.55 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 CA-C-N 119.618 1.099 . . . . 0.0 112.502 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.1 m -55.73 -41.12 73.45 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 169.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -64.84 -45.53 85.74 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 168.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.3 mm -76.63 -77.55 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 124.694 1.197 . . . . 0.0 110.337 -172.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp 51.62 64.0 2.02 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 124.739 1.215 . . . . 0.0 114.02 -171.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 49.31 50.64 17.72 Favored 'General case' 0 CA--C 1.568 1.659 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 -171.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.9 p -58.75 139.55 56.08 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 -171.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.404 23.5 tt0 82.2 -39.87 0.11 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 -175.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.25 -41.46 89.94 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 154.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.0 m -81.95 -112.39 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 117.558 -1.21 . . . . 0.0 109.025 172.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.261 . . 67.05 -67.33 0.17 Allowed 'General case' 0 N--CA 1.504 2.251 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -172.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -67.46 -39.99 85.34 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 165.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.4 mmt -54.43 -48.33 71.8 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 166.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -61.67 -47.44 85.34 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 177.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -62.26 -43.17 99.44 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 173.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -62.74 -37.99 88.75 Favored 'General case' 0 CA--C 1.565 1.532 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 170.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -63.38 -33.76 76.24 Favored 'General case' 0 N--CA 1.503 2.179 0 CA-C-N 120.774 1.624 . . . . 0.0 114.054 174.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.2 t -66.53 -43.94 83.82 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 166.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.78 -53.6 56.53 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 172.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.4 m -60.68 -44.5 96.42 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -53.64 -52.47 59.84 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 169.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -64.31 -36.36 83.88 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 116.042 1.867 . . . . 0.0 116.042 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -63.0 -42.95 99.97 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.0 t -64.89 -47.8 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.098 0 CA-C-N 119.582 1.083 . . . . 0.0 112.466 168.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -61.51 -47.05 87.38 Favored 'General case' 0 CA--C 1.562 1.423 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -174.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -55.86 -29.69 60.3 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 117.352 2.352 . . . . 0.0 117.352 169.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -75.42 -42.1 54.36 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 172.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.14 149.9 45.94 Favored 'General case' 0 CA--C 1.568 1.671 0 C-N-CA 124.356 1.062 . . . . 0.0 112.498 174.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.288 0.0 OUTLIER -155.61 -61.77 0.11 Allowed 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 118.703 -0.665 . . . . 0.0 110.845 -177.811 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.2 mm -97.29 96.06 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 176.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -96.79 -83.74 0.38 Allowed 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 118.249 -0.882 . . . . 0.0 109.708 -172.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.5 m . . . . . 0 N--CA 1.486 1.374 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.503 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.5 t . . . . . 0 CA--C 1.575 1.904 0 CA-C-O 118.486 -0.768 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -88.76 91.88 0.4 Allowed 'Trans proline' 0 CA--C 1.562 1.883 0 C-N-CA 123.046 2.497 . . . . 0.0 111.05 178.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.13 148.43 29.6 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.629 0.771 . . . . 0.0 112.971 -176.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.2 t -82.69 -37.12 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 CA-C-O 117.799 -1.096 . . . . 0.0 113.086 -174.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 m -60.47 -17.82 47.45 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 119.128 3.01 . . . . 0.0 119.128 172.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 t -85.83 -68.75 0.71 Allowed 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.079 0.952 . . . . 0.0 109.704 156.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 0.353 . . 83.73 -45.08 0.11 Allowed 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 125.765 1.626 . . . . 0.0 114.427 -175.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -150.38 -68.31 0.19 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.458 1.103 . . . . 0.0 108.622 168.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 t70 53.84 44.18 29.88 Favored 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 117.843 2.535 . . . . 0.0 117.843 174.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.32 58.44 4.96 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 111.785 -2.461 . . . . 0.0 113.417 -170.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 50.51 55.62 9.22 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -173.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.305 3.9 tmtt? -119.33 58.55 0.87 Allowed 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.365 1.079 . . . . 0.0 109.612 167.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.27 1.0 OUTLIER -177.43 -56.44 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 125.685 1.594 . . . . 0.0 108.811 178.804 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -77.52 -29.82 52.59 Favored 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 163.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.2 -40.65 94.09 Favored Glycine 0 CA--C 1.555 2.565 0 CA-C-N 120.267 1.394 . . . . 0.0 116.289 158.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -64.75 -32.54 74.27 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 166.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.8 m -61.77 -53.73 51.97 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 120.174 1.352 . . . . 0.0 112.749 170.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.343 2.9 pp -73.28 0.92 10.55 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 119.099 2.999 . . . . 0.0 119.099 171.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -77.13 -56.42 4.59 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.107 0.963 . . . . 0.0 111.245 164.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -60.23 -39.71 87.61 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 172.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -59.85 -49.91 75.85 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 171.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.18 95.62 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 173.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -58.0 -43.65 86.76 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 171.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.0 -45.6 92.22 Favored 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 168.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -74.36 -40.9 61.83 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.58 -48.32 80.76 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.833 0 CA-C-N 120.589 1.54 . . . . 0.0 111.663 172.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.8 t -54.82 -36.56 65.12 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 169.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -62.38 -60.22 3.87 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.805 0.842 . . . . 0.0 112.6 167.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.268 10.1 mm -48.35 -66.99 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -171.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.345 0.0 OUTLIER -69.64 1.66 3.96 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 118.397 2.74 . . . . 0.0 118.397 -177.656 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -136.73 59.03 1.71 Allowed 'General case' 0 CA--C 1.569 1.709 0 C-N-CA 124.195 0.998 . . . . 0.0 110.792 160.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.8 p -154.99 152.72 30.01 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.091 -1.006 . . . . 0.0 111.722 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.32 4.64 4.39 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 117.753 2.501 . . . . 0.0 117.753 161.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -76.79 -32.45 57.66 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-N 119.279 0.945 . . . . 0.0 112.74 166.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.6 p -63.6 -41.26 98.34 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 119.816 3.265 . . . . 0.0 119.816 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.91 -17.75 10.72 Favored 'General case' 0 CA--C 1.568 1.645 0 N-CA-C 117.354 2.353 . . . . 0.0 117.354 159.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -77.98 -48.45 16.2 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 118.67 0.668 . . . . 0.0 112.642 169.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.4 mmm -50.64 -44.65 57.47 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 164.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -72.14 -44.4 63.17 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -174.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -58.27 -42.88 87.5 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 164.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -59.54 -40.97 88.98 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 171.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.84 -32.03 73.41 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 120.813 1.642 . . . . 0.0 114.596 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.3 m -68.55 -50.86 48.71 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 167.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.07 -37.56 72.03 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 173.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.1 m -83.07 -50.43 8.52 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 117.921 -1.038 . . . . 0.0 112.333 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -81.75 104.45 12.15 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 124.421 2.057 . . . . 0.0 109.436 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.34 7.1 pt20 158.25 -59.83 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 109.392 -3.549 . . . . 0.0 107.51 -157.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -62.83 -48.42 79.15 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.703 0.801 . . . . 0.0 112.995 160.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 t -63.37 -42.77 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 CA-C-O 117.783 -1.104 . . . . 0.0 113.308 169.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -57.09 -39.47 75.1 Favored 'General case' 0 CA--C 1.565 1.543 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -50.64 -34.52 26.55 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 116.726 2.121 . . . . 0.0 116.726 167.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -91.82 -67.69 0.84 Allowed 'General case' 0 CA--C 1.562 1.429 0 C-N-CA 123.806 0.842 . . . . 0.0 110.226 174.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.8 mp -100.12 94.77 6.42 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -87.31 113.65 23.21 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 119.468 1.031 . . . . 0.0 110.839 -173.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.7 mm -116.93 95.21 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 170.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -78.96 -75.2 0.25 Allowed 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 118.446 -0.788 . . . . 0.0 111.9 -171.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.256 11.2 t . . . . . 0 N--CA 1.49 1.554 0 C-N-CA 124.613 1.165 . . . . 0.0 112.225 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 39.8 m . . . . . 0 CA--C 1.568 1.666 0 CA-C-O 117.482 -1.247 . . . . 0.0 108.385 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.11 127.22 9.79 Favored 'Trans proline' 0 CA--C 1.56 1.818 0 C-N-CA 122.85 2.367 . . . . 0.0 112.531 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.06 -76.41 0.12 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.606 0.763 . . . . 0.0 112.711 -175.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.292 4.4 p -148.64 -72.52 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 CA-C-N 118.483 0.583 . . . . 0.0 109.756 -171.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 m 51.99 52.71 13.88 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -171.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.7 m 54.58 66.65 1.18 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -169.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.1 -60.45 1.9 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.26 0.624 . . . . 0.0 111.263 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -72.37 -36.49 68.74 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 169.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.91 -47.69 84.76 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 173.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -67.38 -60.26 2.72 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-N 118.918 0.781 . . . . 0.0 112.494 171.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.3 mt -96.64 82.18 3.29 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 123.72 0.808 . . . . 0.0 108.902 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.264 22.6 pttp -77.43 -61.06 2.11 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.1 -40.49 74.9 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 175.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.11 -46.26 81.75 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 117.64 -1.171 . . . . 0.0 113.936 170.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.54 -44.93 90.56 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 116.896 1.518 . . . . 0.0 116.896 171.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -57.03 -36.27 70.27 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 116.658 2.096 . . . . 0.0 116.658 165.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.6 m -63.11 -59.69 4.43 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 120.017 1.28 . . . . 0.0 112.947 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.297 1.9 pt? -75.85 2.0 13.52 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 118.773 2.879 . . . . 0.0 118.773 173.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.05 -56.23 4.85 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.883 0.873 . . . . 0.0 111.735 162.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.23 -43.49 92.37 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 172.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -58.41 -52.34 66.05 Favored 'General case' 0 CA--C 1.56 1.332 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 172.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.33 78.26 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 173.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -54.55 -43.56 72.11 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 169.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.44 -36.74 84.73 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 169.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.14 -37.93 84.61 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 169.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.7 mm -63.99 -52.05 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 CA-C-N 119.967 1.258 . . . . 0.0 111.656 169.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.2 p -81.54 58.7 3.8 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 172.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.309 5.5 ppt_? -167.15 -41.83 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 126.25 1.82 . . . . 0.0 109.537 173.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.7 mp -50.64 -59.93 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 C-N-CA 125.074 1.35 . . . . 0.0 113.077 157.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -70.87 1.8 5.08 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 119.462 3.134 . . . . 0.0 119.462 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -118.16 -21.33 8.25 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 175.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -140.57 131.01 25.28 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.918 1.287 . . . . 0.0 107.757 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.572 0.0 OUTLIER 69.69 -19.22 0.19 Allowed 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 120.025 3.343 . . . . 0.0 120.025 -174.184 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -78.97 -48.26 14.82 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 119.704 1.138 . . . . 0.0 109.538 143.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 m -108.48 82.6 1.64 Allowed 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 123.759 1.742 . . . . 0.0 110.81 172.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.05 -20.88 11.34 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-N 113.396 -1.729 . . . . 0.0 112.607 138.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -66.65 -26.32 67.0 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 165.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.9 mmt -90.79 -11.97 37.87 Favored 'General case' 0 CA--C 1.566 1.572 0 N-CA-C 116.253 1.946 . . . . 0.0 116.253 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -136.04 -53.88 0.75 Allowed 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 120.953 1.706 . . . . 0.0 112.832 -175.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.45 -44.59 70.95 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -61.14 -42.24 98.18 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-O 116.793 -1.575 . . . . 0.0 114.673 164.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -59.47 -35.95 75.05 Favored 'General case' 0 N--CA 1.504 2.25 0 CA-C-N 121.876 2.126 . . . . 0.0 114.578 173.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.7 t -68.0 -45.8 73.04 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 173.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -66.59 -49.29 66.85 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 171.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.0 m -85.31 25.78 0.97 Allowed 'General case' 0 CA--C 1.58 2.116 0 C-N-CA 124.904 1.282 . . . . 0.0 114.244 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -62.97 -35.75 81.2 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 -168.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -68.47 -32.07 71.8 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 115.816 1.784 . . . . 0.0 115.816 172.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -73.8 -25.68 60.24 Favored 'General case' 0 CA--C 1.572 1.8 0 CA-C-N 120.218 1.372 . . . . 0.0 114.535 166.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.1 t -58.58 -46.79 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 CA-C-N 121.246 1.839 . . . . 0.0 112.377 158.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -62.9 -47.53 82.9 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -54.45 -34.65 61.88 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 167.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -89.06 -5.81 57.58 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 174.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.3 mt 53.79 64.52 1.81 Allowed 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.28 1.432 . . . . 0.0 113.843 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? 69.75 95.29 0.07 Allowed 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.538 1.135 . . . . 0.0 110.331 -168.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.273 0.0 OUTLIER -68.95 -50.44 53.96 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.524 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -177.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . 0.316 3.9 p-10 -141.38 -93.61 0.14 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 119.306 0.957 . . . . 0.0 109.066 175.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.486 1.345 0 CA-C-N 119.677 1.126 . . . . 0.0 108.835 178.625 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.36 6.3 t . . . . . 0 CA--C 1.574 1.876 0 CA-C-O 114.909 -2.472 . . . . 0.0 117.49 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -62.55 146.38 95.44 Favored 'Trans proline' 0 CA--C 1.561 1.844 0 CA-C-N 125.959 3.164 . . . . 0.0 114.774 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -79.33 122.35 26.25 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.6 0.714 . . . . 0.0 111.259 -173.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.516 HG22 ' H ' ' A' ' 5' ' ' SER . 11.2 p -75.7 168.99 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.515 0 CA-C-O 122.999 1.381 . . . . 0.0 112.261 -177.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.516 ' H ' HG22 ' A' ' 4' ' ' VAL 0.367 4.9 t 69.36 -11.16 0.5 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 118.408 2.744 . . . . 0.0 118.408 -156.404 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.8 p -161.42 57.47 0.28 Allowed 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.817 0.847 . . . . 0.0 112.343 165.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -171.27 -68.89 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 171.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.12 -4.14 16.13 Favored 'General case' 0 CA--C 1.573 1.862 0 N-CA-C 116.445 2.017 . . . . 0.0 116.445 160.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -56.56 -47.72 78.86 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 170.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -63.46 -41.49 98.61 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 172.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.16 -50.74 67.0 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -65.01 -42.18 94.67 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -91.06 77.42 6.05 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-O 121.874 0.845 . . . . 0.0 109.691 172.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -157.23 -53.18 0.08 Allowed 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.888 1.275 . . . . 0.0 108.829 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.37 -43.76 94.48 Favored Glycine 0 CA--C 1.552 2.396 0 CA-C-N 120.138 1.335 . . . . 0.0 115.207 159.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.83 -34.68 73.41 Favored 'General case' 0 CA--C 1.569 1.68 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 165.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.5 m -59.47 -54.51 45.75 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 120.381 1.446 . . . . 0.0 112.655 170.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.316 2.9 pp -71.69 0.88 7.73 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 119.262 3.06 . . . . 0.0 119.262 171.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -80.04 -58.66 3.05 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.38 1.072 . . . . 0.0 110.789 166.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.18 -44.22 95.25 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 115.794 1.775 . . . . 0.0 115.794 170.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -56.81 -47.86 79.31 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 174.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.41 -45.9 88.87 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 173.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.46 -49.64 77.02 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.5 -28.99 70.22 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 169.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.0 tp -65.45 -37.88 88.18 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 169.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.4 mm -61.88 -49.47 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 CA-C-N 120.549 1.522 . . . . 0.0 112.27 172.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.4 p -57.57 -44.56 85.39 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 172.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -55.28 -52.91 61.91 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 171.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.256 1.7 mp -60.86 -55.77 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 C-N-CA 124.87 1.268 . . . . 0.0 113.186 176.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -64.41 -13.31 50.5 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 118.765 2.876 . . . . 0.0 118.765 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -81.73 -8.86 59.74 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 167.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.0 m -136.8 79.81 1.78 Allowed 'General case' 0 CA--C 1.56 1.362 0 CA-C-N 119.351 0.978 . . . . 0.0 108.973 162.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.544 ' H ' ' HA ' ' A' ' 35' ' ' SER . 29.3 mt-10 -140.75 60.73 1.52 Allowed 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 124.44 1.096 . . . . 0.0 108.438 169.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.487 0.2 OUTLIER 46.14 47.61 13.05 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 125.612 2.625 . . . . 0.0 114.02 -155.5 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.544 ' HA ' ' H ' ' A' ' 33' ' ' GLU 0.45 28.9 t -4.86 121.71 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 120.914 3.672 . . . . 0.0 120.914 -127.186 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.96 -31.59 23.48 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-N 112.816 -1.993 . . . . 0.0 115.003 -174.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -61.99 -41.28 97.87 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 155.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 6.9 ptt? -67.78 -12.98 61.72 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 116.559 2.059 . . . . 0.0 116.559 172.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -46.73 80.38 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 -167.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.74 -45.91 90.5 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 173.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -58.72 -36.27 74.01 Favored 'General case' 0 CA--C 1.569 1.675 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 165.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -61.71 -45.01 95.82 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 120.648 1.567 . . . . 0.0 113.348 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 98.5 p -61.82 -38.85 89.69 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 170.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.88 -50.69 65.57 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 172.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.6 m -84.0 -47.7 10.7 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 -172.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.6 -35.44 76.13 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 -173.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -48.75 -42.34 35.15 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 166.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -40.99 86.55 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 170.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.6 t -59.11 -49.16 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-N 119.172 0.897 . . . . 0.0 113.145 171.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -66.52 -48.82 68.54 Favored 'General case' 0 CA--C 1.561 1.391 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 -173.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -58.02 -28.98 64.96 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 117.152 2.279 . . . . 0.0 117.152 167.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -76.89 -42.13 40.98 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 173.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . 0.348 32.6 mt 89.4 -53.52 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.242 0 C-N-CA 124.887 1.275 . . . . 0.0 112.693 -174.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 75.17 84.66 0.1 Allowed 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 124.819 1.248 . . . . 0.0 109.059 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.312 66.5 mt 71.61 96.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 -164.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . 0.251 5.7 p-10 -65.35 -58.26 6.33 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -177.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 N--CA 1.485 1.293 0 CA-C-N 119.077 0.853 . . . . 0.0 109.434 176.379 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.3 t80 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.42 -49.68 67.43 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 116.992 1.557 . . . . 0.0 116.992 174.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -53.97 -35.93 62.33 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 169.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.9 m -61.81 -60.49 3.57 Favored 'General case' 0 CA--C 1.565 1.529 0 CA-C-O 117.669 -1.158 . . . . 0.0 112.787 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.334 1.8 pt? -78.87 0.27 27.89 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 119.321 3.082 . . . . 0.0 119.321 175.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.71 -48.09 34.58 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.871 0.868 . . . . 0.0 112.829 158.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.58 -42.57 92.82 Favored 'General case' 0 CA--C 1.567 1.626 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 167.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.66 -33.47 74.02 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 170.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.3 -45.38 66.4 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 170.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.02 76.26 10.07 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 119.906 1.23 . . . . 0.0 109.976 169.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 169.28 -62.76 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 105.969 -1.864 . . . . 0.0 105.969 -162.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.86 -47.5 29.96 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.711 0.805 . . . . 0.0 112.795 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -70.23 -35.31 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 CA-C-N 119.135 0.88 . . . . 0.0 112.634 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.0 m -77.8 86.07 4.07 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 119.982 1.264 . . . . 0.0 110.264 171.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.406 53.3 ptt85 141.66 -53.52 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 127.4 2.28 . . . . 0.0 109.902 -165.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.203 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.0 t80 . . . . . 0 CA--C 1.569 1.693 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.89 -55.27 27.74 Favored Glycine 0 N--CA 1.487 2.051 0 CA-C-O 118.798 -1.001 . . . . 0.0 115.341 173.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -61.07 -38.09 84.97 Favored 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.259 5.7 t -63.51 -47.34 82.08 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.72 46.1 1.0 Allowed 'General case' 0 N--CA 1.499 2.012 0 CA-C-O 122.892 1.33 . . . . 0.0 114.528 159.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -117.51 52.18 0.99 Allowed 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 137.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -171.27 -55.63 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.92 1.288 . . . . 0.0 108.557 -169.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.291 63.2 pttt -64.07 -40.56 96.54 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 119.934 1.243 . . . . 0.0 113.618 153.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.33 57.11 4.09 Favored 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 161.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -122.33 -60.35 1.56 Allowed 'General case' 0 CA--C 1.559 1.309 0 C-N-CA 126.06 1.744 . . . . 0.0 108.593 166.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.0 -33.03 72.61 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 167.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.23 -44.62 91.3 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 120.48 1.491 . . . . 0.0 113.702 169.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.4 mm -63.68 -41.2 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 CA-C-N 119.58 1.082 . . . . 0.0 113.225 174.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.8 m -56.44 -44.17 80.17 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 171.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -80.86 -8.21 59.66 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 172.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.0 mm . . . . . 0 N--CA 1.494 1.769 0 CA-C-N 120.615 1.552 . . . . 0.0 109.365 178.204 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.6 t80 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 115.783 1.772 . . . . 0.0 115.783 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.69 -51.13 60.85 Favored Glycine 0 N--CA 1.49 2.291 0 CA-C-N 120.323 1.419 . . . . 0.0 115.428 164.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -57.14 -34.31 68.28 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 166.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.1 m -61.68 -54.88 36.76 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 119.709 1.141 . . . . 0.0 112.728 171.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.363 1.6 pp -70.6 -6.51 37.2 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 119.817 3.266 . . . . 0.0 119.817 173.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -73.92 -49.69 23.6 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.235 1.014 . . . . 0.0 112.764 163.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.62 -38.47 91.26 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 169.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -60.21 -49.85 75.98 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 172.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.61 80.61 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 170.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -59.12 -47.71 84.26 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 168.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -63.32 -44.43 94.97 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 171.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.59 -36.36 70.82 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.0 mt -70.61 -48.52 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 CA-C-N 120.107 1.321 . . . . 0.0 111.406 173.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 t -57.45 -26.88 61.87 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 117.622 2.452 . . . . 0.0 117.622 168.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -80.04 -40.77 27.06 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 123.629 0.772 . . . . 0.0 112.899 171.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.263 9.8 mm . . . . . 0 N--CA 1.492 1.653 0 C-N-CA 124.779 1.232 . . . . 0.0 110.026 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 . . . . . 0 N--CA 1.494 1.757 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.27 -49.02 70.83 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 116.726 1.45 . . . . 0.0 116.726 171.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -69.46 -31.48 69.81 Favored 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 116.382 1.993 . . . . 0.0 116.382 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.9 m -65.12 -67.08 0.47 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 120.811 1.641 . . . . 0.0 112.241 -174.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.269 0.8 OUTLIER -70.4 -1.15 9.79 Favored 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 119.109 3.003 . . . . 0.0 119.109 173.689 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -76.15 -57.69 3.72 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.785 1.234 . . . . 0.0 111.842 162.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.5 -35.12 79.93 Favored 'General case' 0 CA--C 1.567 1.61 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 172.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -61.32 -51.1 70.26 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 172.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.69 -38.64 88.56 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.04 -51.18 70.3 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 119.274 0.943 . . . . 0.0 113.205 170.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -54.36 -36.04 63.42 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 170.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.33 -64.87 0.83 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.715 1.143 . . . . 0.0 112.049 174.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.81 -40.1 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 CA-C-N 120.448 1.476 . . . . 0.0 113.912 -172.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 t -59.66 -38.28 81.03 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 121.161 1.801 . . . . 0.0 115.818 172.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -71.14 -40.62 71.28 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 168.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.258 79.5 mt . . . . . 0 N--CA 1.488 1.445 0 C-N-CA 125.133 1.373 . . . . 0.0 107.375 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.4 t80 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 122.133 0.968 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 172.71 -66.43 0.12 Allowed Glycine 0 CA--C 1.543 1.8 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 -166.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -59.06 -38.71 80.02 Favored 'General case' 0 CA--C 1.567 1.633 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 164.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.7 m -60.97 -58.67 7.47 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 119.419 1.009 . . . . 0.0 112.041 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.413 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -80.64 32.6 0.3 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 170.187 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -91.43 -66.02 0.96 Allowed 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 124.372 1.069 . . . . 0.0 108.746 158.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.18 -40.34 86.55 Favored 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -63.73 -37.0 85.73 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 173.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.8 96.37 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 167.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -54.75 -32.41 59.84 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 166.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -62.73 -39.25 93.51 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 167.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.06 -32.3 73.4 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 167.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.2 mm -64.92 -50.94 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 CA-C-N 120.924 1.693 . . . . 0.0 112.022 172.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.0 p -57.18 -43.08 82.3 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -57.15 -42.3 80.76 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 168.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.8 mm . . . . . 0 N--CA 1.495 1.795 0 C-N-CA 124.664 1.186 . . . . 0.0 112.988 174.847 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.7 t80 . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 122.216 1.007 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 166.72 -43.68 0.26 Allowed Glycine 0 CA--C 1.547 2.094 0 CA-C-N 114.596 -1.184 . . . . 0.0 112.759 -171.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -55.89 -35.94 67.1 Favored 'General case' 0 CA--C 1.572 1.799 0 CA-C-N 119.497 1.648 . . . . 0.0 114.909 141.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 m -65.92 142.03 58.02 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 119.507 1.049 . . . . 0.0 109.333 154.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.365 3.0 mt 78.96 -29.46 0.15 Allowed 'General case' 0 N--CA 1.512 2.649 0 N-CA-C 118.08 2.622 . . . . 0.0 118.08 -171.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -91.14 -74.29 0.51 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.748 1.219 . . . . 0.0 111.796 172.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.87 -37.94 82.45 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 172.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -61.31 -37.73 84.3 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 170.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.22 75.26 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 166.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.8 ttm105 -85.13 69.45 10.78 Favored 'General case' 0 CA--C 1.568 1.635 0 CA-C-N 119.382 0.992 . . . . 0.0 110.656 171.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 171.83 -60.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 -162.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.2 tp -67.46 -48.0 68.45 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 170.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -67.44 -44.75 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 CA-C-O 118.003 -0.998 . . . . 0.0 111.769 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m -55.88 -37.7 69.19 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 172.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -69.34 -41.72 76.25 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 168.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.276 25.4 mm . . . . . 0 N--CA 1.489 1.478 0 C-N-CA 124.684 1.194 . . . . 0.0 109.126 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.266 7.5 p90 . . . . . 0 N--CA 1.497 1.896 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.87 -53.61 39.56 Favored Glycine 0 N--CA 1.49 2.252 0 CA-C-N 119.668 1.122 . . . . 0.0 114.795 165.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -56.14 -33.31 65.06 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 167.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 m -58.42 -51.85 68.09 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 119.468 1.031 . . . . 0.0 112.804 167.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.336 3.1 pp -75.45 4.47 7.34 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 119.177 3.029 . . . . 0.0 119.177 170.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -78.07 -60.65 2.29 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.88 0.872 . . . . 0.0 110.784 162.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -56.58 -43.77 80.38 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 171.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -63.02 -37.1 85.82 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 173.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.63 -49.83 61.07 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 173.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -61.55 -36.73 81.44 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 173.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.9 -50.06 72.35 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 117.208 -1.377 . . . . 0.0 114.095 166.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -93.38 45.77 1.18 Allowed 'General case' 0 CA--C 1.57 1.743 0 CA-C-N 120.453 1.479 . . . . 0.0 114.33 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.4 mt -123.62 -54.46 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 154.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.8 t -78.0 90.56 4.18 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-N 120.684 1.583 . . . . 0.0 109.589 167.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 148.82 -63.61 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 126.533 1.933 . . . . 0.0 106.143 -154.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.289 51.9 mt . . . . . 0 CA--C 1.568 1.635 0 C-N-CA 124.406 1.082 . . . . 0.0 108.775 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.2 t80 . . . . . 0 CA--C 1.564 1.513 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.77 -49.51 70.06 Favored Glycine 0 N--CA 1.492 2.396 0 CA-C-N 119.983 1.265 . . . . 0.0 115.984 167.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -53.49 -31.61 46.66 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 117.254 2.316 . . . . 0.0 117.254 167.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.4 m -62.59 -61.68 2.26 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-N 119.999 1.272 . . . . 0.0 112.397 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.298 2.3 pt? -78.5 4.12 14.15 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 119.209 3.04 . . . . 0.0 119.209 176.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.84 -56.71 3.94 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.189 0.996 . . . . 0.0 111.502 163.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.22 -40.21 95.59 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 172.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -60.59 -47.89 84.19 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.12 96.62 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 171.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -57.21 -45.67 83.59 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 168.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.31 -21.22 66.68 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 116.991 2.219 . . . . 0.0 116.991 172.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.19 -39.99 95.16 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 120.741 1.61 . . . . 0.0 115.11 169.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mp -66.6 -46.59 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 CA-C-N 120.821 1.646 . . . . 0.0 112.443 173.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.1 p -59.58 -30.0 68.35 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 170.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -67.19 -40.18 86.47 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 163.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.296 75.7 mt . . . . . 0 CA--C 1.563 1.457 0 C-N-CA 125.025 1.33 . . . . 0.0 107.515 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 . . . . . 0 N--CA 1.493 1.679 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.91 -22.64 78.71 Favored Glycine 0 CA--C 1.552 2.389 0 N-CA-C 117.225 1.65 . . . . 0.0 117.225 164.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -81.76 -152.34 0.1 Allowed 'General case' 0 CA--C 1.58 2.127 0 CA-C-N 119.572 1.686 . . . . 0.0 109.436 155.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.44 24.9 m 67.75 -87.2 0.03 OUTLIER 'General case' 0 CA--C 1.565 1.541 0 O-C-N 120.492 -1.38 . . . . 0.0 113.784 169.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.3 pt? -70.66 -3.46 18.52 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 119.055 2.983 . . . . 0.0 119.055 168.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.8 -56.71 4.41 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 124.836 1.254 . . . . 0.0 112.035 166.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.63 -42.04 98.33 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -56.55 -46.17 80.84 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.73 -49.1 72.15 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -57.88 -38.65 76.16 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 170.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -63.38 -44.74 93.89 Favored 'General case' 0 CA--C 1.567 1.617 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 169.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.9 mp -71.47 -48.75 47.26 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.41 -45.01 99.8 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.832 0 CA-C-O 117.436 -1.269 . . . . 0.0 112.488 175.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.9 p -56.43 -39.07 72.46 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 117.041 2.238 . . . . 0.0 117.041 171.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -65.99 -48.92 69.61 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 170.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.312 1.7 mp . . . . . 0 CA--C 1.565 1.537 0 C-N-CA 124.81 1.244 . . . . 0.0 109.78 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.4 t80 . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.74 -42.49 93.14 Favored Glycine 0 CA--C 1.554 2.522 0 CA-C-N 120.393 1.451 . . . . 0.0 115.267 158.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.03 -28.07 66.07 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 165.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.9 m -62.5 -59.47 4.91 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.046 1.294 . . . . 0.0 112.867 177.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.282 2.3 pt? -75.71 2.85 10.98 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 118.786 2.884 . . . . 0.0 118.786 171.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -77.94 -58.28 3.35 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.144 0.977 . . . . 0.0 111.077 163.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -61.72 -43.46 98.8 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 174.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -55.19 -50.03 70.41 Favored 'General case' 0 CA--C 1.565 1.532 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 171.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.96 96.38 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 172.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -58.33 -45.4 88.16 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 170.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.92 -42.86 99.58 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 170.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.1 -52.51 41.04 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 119.491 1.041 . . . . 0.0 113.658 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.05 -47.53 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 CA-C-O 117.901 -1.047 . . . . 0.0 113.022 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.8 m -60.04 -39.67 86.71 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.6 ttp-105 -66.59 -39.64 88.52 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 169.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.282 25.5 mm . . . . . 0 N--CA 1.489 1.49 0 C-N-CA 124.979 1.311 . . . . 0.0 109.179 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 122.235 1.017 . . . . 0.0 108.405 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.66 -62.32 0.18 Allowed Glycine 0 CA--C 1.54 1.596 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.615 -163.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.58 -43.2 99.4 Favored 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 168.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.253 9.2 t -61.34 -54.32 45.29 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 176.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.1 pt? -84.1 26.19 0.77 Allowed 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 116.838 2.162 . . . . 0.0 116.838 170.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -89.68 -61.83 1.61 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 123.961 0.904 . . . . 0.0 109.775 155.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -63.61 -44.89 92.65 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -62.33 -39.52 93.36 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 173.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.6 -49.32 73.79 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 173.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -56.67 -46.02 81.38 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 171.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.83 -37.41 76.38 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 168.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 tp -66.24 -32.31 73.65 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 171.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.0 mm -64.53 -45.37 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 CA-C-N 120.475 1.489 . . . . 0.0 112.305 168.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.0 m -55.35 -36.49 66.36 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -66.79 -46.85 73.93 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 166.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.258 80.0 mt . . . . . 0 N--CA 1.493 1.68 0 C-N-CA 124.857 1.263 . . . . 0.0 110.371 -177.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.7 t80 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.616 -1.183 . . . . 0.0 108.563 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.42 -44.44 84.25 Favored Glycine 0 N--CA 1.492 2.432 0 CA-C-N 120.725 1.602 . . . . 0.0 115.125 164.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -54.84 -35.06 63.57 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 116.458 2.021 . . . . 0.0 116.458 164.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.7 m -60.94 -63.72 1.2 Allowed 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 117.266 -1.349 . . . . 0.0 112.384 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.3 2.0 pt? -73.72 1.19 10.87 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 175.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -81.07 -56.87 3.81 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 124.179 0.991 . . . . 0.0 111.908 166.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.08 -36.52 82.17 Favored 'General case' 0 CA--C 1.567 1.596 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 171.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -61.79 -46.06 91.18 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.42 84.44 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 116.358 1.984 . . . . 0.0 116.358 170.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 ttm105 -60.15 -47.8 84.42 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 170.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.88 -42.48 98.03 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 169.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.0 tp -58.33 -48.42 80.61 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 173.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.87 -35.73 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 C-N-CA 124.19 0.996 . . . . 0.0 113.637 172.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.2 m -58.12 -46.56 85.39 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 172.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -71.2 -49.66 41.22 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 172.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.267 1.7 mp . . . . . 0 N--CA 1.492 1.63 0 C-N-CA 124.627 1.171 . . . . 0.0 109.747 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.4 t80 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 117.681 -1.152 . . . . 0.0 113.479 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.18 -42.3 81.45 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 117.224 1.649 . . . . 0.0 117.224 170.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -59.39 -41.52 89.59 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 170.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.7 p -65.71 -58.22 6.21 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 117.209 -1.377 . . . . 0.0 113.87 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.359 1.4 pt? -75.68 -3.91 37.29 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 118.933 2.938 . . . . 0.0 118.933 177.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -75.83 -52.33 10.62 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.77 0.828 . . . . 0.0 112.488 160.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.83 -43.11 94.75 Favored 'General case' 0 CA--C 1.566 1.568 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 170.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -63.87 -40.66 97.08 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 173.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.81 97.44 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.68 1.734 . . . . 0.0 115.68 170.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -59.53 -43.24 93.51 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 168.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -56.07 -45.25 79.39 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 114.924 1.454 . . . . 0.0 114.924 167.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.66 -38.65 87.29 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 174.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.3 mt -62.7 -35.39 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 CA-C-N 119.594 1.088 . . . . 0.0 113.815 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.6 p -58.33 -39.92 80.73 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 169.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -71.59 -49.09 43.72 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 168.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.3 mm . . . . . 0 N--CA 1.492 1.643 0 C-N-CA 125.087 1.355 . . . . 0.0 110.73 -174.722 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.9 t80 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.2 -46.39 62.9 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 117.025 1.57 . . . . 0.0 117.025 170.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -61.34 -33.28 73.36 Favored 'General case' 0 CA--C 1.571 1.771 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 168.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.9 m -63.5 -60.0 3.92 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-N 119.955 1.252 . . . . 0.0 112.949 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.292 1.8 pt? -74.56 -0.12 16.69 Favored 'General case' 0 N--CA 1.502 2.125 0 N-CA-C 118.922 2.934 . . . . 0.0 118.922 172.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -76.25 -56.13 4.93 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 124.539 1.136 . . . . 0.0 111.832 163.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.45 -46.26 89.32 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 173.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -47.08 77.24 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 173.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.63 -31.0 72.03 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 169.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -61.88 -49.41 76.34 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 170.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.85 -38.84 92.33 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 171.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 mt -69.2 -47.33 65.14 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.74 -49.9 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 CA-C-O 117.545 -1.217 . . . . 0.0 111.594 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.9 m -81.3 87.67 6.12 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 120.443 1.474 . . . . 0.0 109.699 173.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 153.82 -63.48 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 105.79 -1.929 . . . . 0.0 105.79 -155.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.262 83.5 mt . . . . . 0 N--CA 1.492 1.628 0 C-N-CA 125.184 1.393 . . . . 0.0 108.611 173.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 t80 . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.0 -45.56 96.37 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 170.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -62.07 -36.16 80.82 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 172.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.8 m -61.24 -57.27 13.08 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.813 1.188 . . . . 0.0 112.105 170.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.288 3.5 pp -66.77 -3.54 6.99 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 119.719 3.229 . . . . 0.0 119.719 172.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -78.68 -60.34 2.42 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 124.59 1.156 . . . . 0.0 111.028 168.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -63.09 -38.15 90.03 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -58.18 -45.87 86.77 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 172.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.82 -38.25 83.01 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 172.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -61.81 -45.38 94.11 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 170.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.95 -41.65 96.71 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 169.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.4 tp -66.32 -44.24 83.9 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.7 mt -64.58 -42.55 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 CA-C-N 119.618 1.099 . . . . 0.0 112.502 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.1 m -55.73 -41.12 73.45 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 169.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -64.84 -45.53 85.74 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 168.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 N--CA 1.489 1.475 0 C-N-CA 124.694 1.197 . . . . 0.0 110.337 -172.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.6 t80 . . . . . 0 CA--C 1.567 1.612 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.2 -40.65 94.09 Favored Glycine 0 CA--C 1.555 2.565 0 CA-C-N 120.267 1.394 . . . . 0.0 116.289 158.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -64.75 -32.54 74.27 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 166.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.8 m -61.77 -53.73 51.97 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 120.174 1.352 . . . . 0.0 112.749 170.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.343 2.9 pp -73.28 0.92 10.55 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 119.099 2.999 . . . . 0.0 119.099 171.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -77.13 -56.42 4.59 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.107 0.963 . . . . 0.0 111.245 164.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -60.23 -39.71 87.61 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 172.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -59.85 -49.91 75.85 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 171.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.18 95.62 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 173.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -58.0 -43.65 86.76 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 171.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.0 -45.6 92.22 Favored 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 168.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -74.36 -40.9 61.83 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.58 -48.32 80.76 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.833 0 CA-C-N 120.589 1.54 . . . . 0.0 111.663 172.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.8 t -54.82 -36.56 65.12 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 169.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -62.38 -60.22 3.87 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.805 0.842 . . . . 0.0 112.6 167.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.268 10.1 mm . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -171.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.6 t80 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 117.64 -1.171 . . . . 0.0 113.936 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.54 -44.93 90.56 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 116.896 1.518 . . . . 0.0 116.896 171.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -57.03 -36.27 70.27 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 116.658 2.096 . . . . 0.0 116.658 165.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.6 m -63.11 -59.69 4.43 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 120.017 1.28 . . . . 0.0 112.947 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.297 1.9 pt? -75.85 2.0 13.52 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 118.773 2.879 . . . . 0.0 118.773 173.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.05 -56.23 4.85 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.883 0.873 . . . . 0.0 111.735 162.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.23 -43.49 92.37 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 172.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -58.41 -52.34 66.05 Favored 'General case' 0 CA--C 1.56 1.332 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 172.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.33 78.26 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 173.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -54.55 -43.56 72.11 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 169.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.44 -36.74 84.73 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 169.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.14 -37.93 84.61 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 169.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.7 mm -63.99 -52.05 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 CA-C-N 119.967 1.258 . . . . 0.0 111.656 169.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.2 p -81.54 58.7 3.8 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 172.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.309 5.5 ppt_? -167.15 -41.83 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 126.25 1.82 . . . . 0.0 109.537 173.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.491 1.597 0 C-N-CA 125.074 1.35 . . . . 0.0 113.077 157.786 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.2 t80 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 118.23 -0.89 . . . . 0.0 108.829 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.37 -43.76 94.48 Favored Glycine 0 CA--C 1.552 2.396 0 CA-C-N 120.138 1.335 . . . . 0.0 115.207 159.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.83 -34.68 73.41 Favored 'General case' 0 CA--C 1.569 1.68 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 165.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.5 m -59.47 -54.51 45.75 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 120.381 1.446 . . . . 0.0 112.655 170.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.316 2.9 pp -71.69 0.88 7.73 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 119.262 3.06 . . . . 0.0 119.262 171.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -80.04 -58.66 3.05 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.38 1.072 . . . . 0.0 110.789 166.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.18 -44.22 95.25 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 115.794 1.775 . . . . 0.0 115.794 170.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -56.81 -47.86 79.31 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 174.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.41 -45.9 88.87 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 173.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.46 -49.64 77.02 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.5 -28.99 70.22 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 169.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.0 tp -65.45 -37.88 88.18 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 169.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.4 mm -61.88 -49.47 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 CA-C-N 120.549 1.522 . . . . 0.0 112.27 172.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.4 p -57.57 -44.56 85.39 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 172.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -55.28 -52.91 61.91 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 171.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.256 1.7 mp . . . . . 0 N--CA 1.493 1.69 0 C-N-CA 124.87 1.268 . . . . 0.0 113.186 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.7 t . . . . . 0 CA--C 1.574 1.881 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -89.91 130.1 1.77 Allowed 'Trans proline' 0 CA--C 1.56 1.802 0 C-N-CA 122.604 2.203 . . . . 0.0 112.134 -169.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -80.0 121.0 24.94 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.233 0.613 . . . . 0.0 109.862 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.5 t -92.23 149.46 4.15 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.824 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.468 -166.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -152.38 73.21 1.02 Allowed 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 167.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.254 9.8 t 45.38 57.39 4.9 Favored 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 -161.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -121.58 -66.32 1.05 Allowed 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 124.017 0.927 . . . . 0.0 109.184 -178.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.38 -13.25 37.56 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 116.361 1.985 . . . . 0.0 116.361 163.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.64 -51.24 66.05 Favored 'General case' 0 CA--C 1.567 1.624 0 CA-C-N 120.474 1.488 . . . . 0.0 113.619 163.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -65.82 -60.42 2.89 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.756 0.822 . . . . 0.0 113.002 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.97 76.78 10.23 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 123.371 0.668 . . . . 0.0 110.161 166.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -85.36 -41.41 15.5 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 172.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -49.27 13.05 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.19 0.996 . . . . 0.0 113.594 175.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -63.64 -44.58 93.44 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 168.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.42 -49.68 67.43 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 116.992 1.557 . . . . 0.0 116.992 174.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -53.97 -35.93 62.33 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 169.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.9 m -61.81 -60.49 3.57 Favored 'General case' 0 CA--C 1.565 1.529 0 CA-C-O 117.669 -1.158 . . . . 0.0 112.787 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.334 1.8 pt? -78.87 0.27 27.89 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 119.321 3.082 . . . . 0.0 119.321 175.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.71 -48.09 34.58 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.871 0.868 . . . . 0.0 112.829 158.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.58 -42.57 92.82 Favored 'General case' 0 CA--C 1.567 1.626 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 167.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.66 -33.47 74.02 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 170.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.3 -45.38 66.4 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 170.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.02 76.26 10.07 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 119.906 1.23 . . . . 0.0 109.976 169.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 169.28 -62.76 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 105.969 -1.864 . . . . 0.0 105.969 -162.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.86 -47.5 29.96 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.711 0.805 . . . . 0.0 112.795 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -70.23 -35.31 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 CA-C-N 119.135 0.88 . . . . 0.0 112.634 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.0 m -77.8 86.07 4.07 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 119.982 1.264 . . . . 0.0 110.264 171.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.406 53.3 ptt85 141.66 -53.52 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 127.4 2.28 . . . . 0.0 109.902 -165.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -76.36 -81.65 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.6 tptt 59.66 66.45 1.0 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.653 1.181 . . . . 0.0 113.119 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.25 60.2 mt-30 56.01 56.68 5.72 Favored 'General case' 0 CA--C 1.567 1.634 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -169.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.1 m -117.9 -97.41 0.46 Allowed 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 117.973 -1.013 . . . . 0.0 108.493 176.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -71.16 0.64 7.32 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 161.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -76.98 -47.37 20.94 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 119.204 0.911 . . . . 0.0 110.821 159.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.9 m -87.03 -110.03 0.06 Allowed 'General case' 0 CA--C 1.558 1.256 0 CA-C-O 117.399 -1.286 . . . . 0.0 109.906 174.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.266 . . 70.23 -68.92 0.19 Allowed 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 120.132 1.333 . . . . 0.0 113.511 -171.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -68.14 -36.92 80.46 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 164.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.6 mmm -66.76 -44.15 82.19 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 117.248 -1.358 . . . . 0.0 114.025 169.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -67.75 -34.9 77.74 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -59.68 -46.97 87.43 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 163.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -61.45 -39.4 90.71 Favored 'General case' 0 CA--C 1.567 1.634 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 172.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -65.98 -39.85 90.71 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-N 120.416 1.462 . . . . 0.0 113.3 175.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.4 p -87.18 69.43 10.08 Favored 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 121.975 0.893 . . . . 0.0 111.826 169.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 175.1 -63.73 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 -165.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.0 m -65.47 -54.77 23.6 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.522 1.129 . . . . 0.0 112.499 175.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -61.68 -40.6 95.55 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 169.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -60.56 -37.5 81.48 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -56.91 -42.15 79.42 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 166.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 t -65.14 -50.62 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 CA-C-N 119.077 0.853 . . . . 0.0 112.443 170.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -61.31 -49.9 75.15 Favored 'General case' 0 CA--C 1.56 1.332 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 -173.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -52.93 -29.44 28.7 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 117.812 2.523 . . . . 0.0 117.812 169.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -86.87 -55.88 3.64 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.006 0.923 . . . . 0.0 111.537 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.4 mt -103.17 -128.48 0.23 Allowed 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.941 0.897 . . . . 0.0 109.093 -168.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.325 36.3 ttpt 59.1 -113.97 0.7 Allowed 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.726 1.21 . . . . 0.0 111.037 -173.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.25 18.5 tt -92.18 -67.91 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.563 0 C-N-CA 124.667 1.187 . . . . 0.0 108.863 161.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -140.65 -87.18 0.18 Allowed 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 106.592 -1.633 . . . . 0.0 106.592 172.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.485 1.311 0 CA-C-N 119.482 1.037 . . . . 0.0 111.207 174.194 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 CA--C 1.562 1.438 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.44 97.07 1.11 Allowed 'Trans proline' 0 CA--C 1.563 1.936 0 CA-C-N 123.791 2.39 . . . . 0.0 112.592 -172.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -104.39 127.69 52.1 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.918 0.887 . . . . 0.0 109.563 -175.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.475 HG13 ' H ' ' A' ' 5' ' ' SER 0.357 13.1 p -128.94 -121.72 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.335 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.509 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.475 ' H ' HG13 ' A' ' 4' ' ' VAL . 11.6 t 52.36 55.47 9.09 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -157.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.28 14.4 t 51.3 63.29 2.3 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 115.267 1.581 . . . . 0.0 115.267 -162.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.8 -56.67 1.05 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.232 1.013 . . . . 0.0 109.549 171.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.8 tp -61.97 -29.0 69.95 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 161.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.61 -55.64 19.01 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 119.697 1.135 . . . . 0.0 113.833 172.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -73.8 -46.23 46.6 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.1 mt -77.07 -54.59 6.34 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.927 0.891 . . . . 0.0 112.33 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.558 22.4 pttp 70.37 -76.0 0.07 Allowed 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 116.539 2.052 . . . . 0.0 116.539 166.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.89 -43.68 29.38 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 169.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -67.9 -34.85 77.43 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 164.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.89 -55.27 27.74 Favored Glycine 0 N--CA 1.487 2.051 0 CA-C-O 118.798 -1.001 . . . . 0.0 115.341 173.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -61.07 -38.09 84.97 Favored 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 116.59 2.07 . . . . 0.0 116.59 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.259 5.7 t -63.51 -47.34 82.08 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.72 46.1 1.0 Allowed 'General case' 0 N--CA 1.499 2.012 0 CA-C-O 122.892 1.33 . . . . 0.0 114.528 159.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -117.51 52.18 0.99 Allowed 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 137.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -171.27 -55.63 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.92 1.288 . . . . 0.0 108.557 -169.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.291 63.2 pttt -64.07 -40.56 96.54 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 119.934 1.243 . . . . 0.0 113.618 153.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.33 57.11 4.09 Favored 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 161.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -122.33 -60.35 1.56 Allowed 'General case' 0 CA--C 1.559 1.309 0 C-N-CA 126.06 1.744 . . . . 0.0 108.593 166.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.0 -33.03 72.61 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 167.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.23 -44.62 91.3 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 120.48 1.491 . . . . 0.0 113.702 169.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.4 mm -63.68 -41.2 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 CA-C-N 119.58 1.082 . . . . 0.0 113.225 174.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.8 m -56.44 -44.17 80.17 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 171.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -80.86 -8.21 59.66 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 172.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.0 mm -100.72 -70.44 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 CA-C-N 120.615 1.552 . . . . 0.0 109.365 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -63.62 -11.55 26.04 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 118.438 2.755 . . . . 0.0 118.438 173.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -134.3 71.84 1.46 Allowed 'General case' 0 CA--C 1.562 1.425 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 156.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.0 t -77.05 148.91 35.88 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.434 -0.791 . . . . 0.0 112.346 175.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.91 18.79 0.58 Allowed 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 117.251 2.315 . . . . 0.0 117.251 168.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -59.73 2.65 Favored 'General case' 0 CA--C 1.563 1.479 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 149.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.8 m -102.21 92.51 4.77 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 122.916 1.341 . . . . 0.0 109.958 -176.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.77 -38.06 8.83 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 113.914 -1.494 . . . . 0.0 112.79 162.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -80.63 -40.82 24.97 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 170.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . 0.28 30.6 tpp -65.63 -24.45 67.05 Favored 'General case' 0 CA--C 1.566 1.571 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 166.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -74.73 -34.92 62.63 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 122.232 2.287 . . . . 0.0 115.312 163.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -58.07 -43.06 86.77 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 163.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -64.12 -39.49 94.15 Favored 'General case' 0 CA--C 1.566 1.562 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 169.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -61.89 -35.21 77.68 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 121.475 1.943 . . . . 0.0 114.187 174.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.1 m -67.14 -47.55 70.72 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 168.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -63.03 -40.72 98.56 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 174.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 36.5 m -66.79 -42.42 86.01 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.227 1.011 . . . . 0.0 113.648 172.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -56.9 -48.0 79.23 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 168.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -62.14 -34.54 76.56 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 171.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -58.57 -47.73 83.3 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 171.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 t -68.63 -51.71 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 CA-C-N 118.865 0.757 . . . . 0.0 112.167 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -62.64 -51.81 65.81 Favored 'General case' 0 CA--C 1.561 1.39 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -173.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.31 -9.24 31.07 Favored 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 174.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -89.58 -57.64 2.8 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 120.246 1.385 . . . . 0.0 111.383 162.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.8 mt -100.29 -68.64 0.8 Allowed 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 124.034 0.934 . . . . 0.0 112.571 -164.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 98.4 11.69 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 119.374 0.988 . . . . 0.0 109.218 -172.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.292 4.7 mp 65.33 89.18 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 C-N-CA 124.469 1.107 . . . . 0.0 109.319 -174.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . 0.273 5.6 p-10 -68.06 -59.58 3.14 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -173.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.7 m . . . . . 0 N--CA 1.491 1.616 0 C-N-CA 124.503 1.121 . . . . 0.0 112.843 174.796 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 CA--C 1.572 1.815 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -87.7 85.0 0.76 Allowed 'Trans proline' 0 CA--C 1.561 1.863 0 C-N-CA 123.17 2.58 . . . . 0.0 110.353 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -146.41 130.66 17.51 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -165.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.341 10.0 p -100.56 -148.0 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.619 0 C-N-CA 123.312 0.645 . . . . 0.0 109.583 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 m 51.57 38.65 22.96 Favored 'General case' 0 N--CA 1.503 2.191 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -156.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -172.9 -70.41 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 -162.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 0.275 . . 76.62 -33.45 0.21 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 117.122 2.267 . . . . 0.0 117.122 -175.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.74 -28.64 0.97 Allowed 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.88 1.272 . . . . 0.0 112.748 178.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -64.7 -50.47 66.84 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 120.338 1.427 . . . . 0.0 113.655 171.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -68.42 -51.85 39.37 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 118.216 -0.897 . . . . 0.0 112.979 163.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.23 66.12 3.42 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-N 119.478 1.036 . . . . 0.0 112.663 -178.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.292 0.0 OUTLIER -100.26 -50.87 3.81 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.299 1.04 . . . . 0.0 112.302 159.309 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.51 -49.11 13.96 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 119.961 1.255 . . . . 0.0 113.256 170.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -71.13 -24.41 62.27 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 115.783 1.772 . . . . 0.0 115.783 171.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.69 -51.13 60.85 Favored Glycine 0 N--CA 1.49 2.291 0 CA-C-N 120.323 1.419 . . . . 0.0 115.428 164.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -57.14 -34.31 68.28 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 166.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.1 m -61.68 -54.88 36.76 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 119.709 1.141 . . . . 0.0 112.728 171.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.363 1.6 pp -70.6 -6.51 37.2 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 119.817 3.266 . . . . 0.0 119.817 173.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -73.92 -49.69 23.6 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.235 1.014 . . . . 0.0 112.764 163.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.62 -38.47 91.26 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 169.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -60.21 -49.85 75.98 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 172.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.61 80.61 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 170.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -59.12 -47.71 84.26 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 168.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -63.32 -44.43 94.97 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 171.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 mp -71.59 -36.36 70.82 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.0 mt -70.61 -48.52 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 CA-C-N 120.107 1.321 . . . . 0.0 111.406 173.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 t -57.45 -26.88 61.87 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 117.622 2.452 . . . . 0.0 117.622 168.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -80.04 -40.77 27.06 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 123.629 0.772 . . . . 0.0 112.899 171.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.263 9.8 mm -68.05 -82.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 C-N-CA 124.779 1.232 . . . . 0.0 110.026 175.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 46.98 56.96 6.13 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -167.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.254 9.1 tt0 54.14 74.18 0.35 Allowed 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.842 1.257 . . . . 0.0 113.641 -166.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.5 t 71.95 153.54 0.13 Allowed 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 175.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.541 0.0 OUTLIER 127.44 -42.01 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.03 0 C-N-CA 127.443 2.297 . . . . 0.0 113.054 -175.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -73.98 -38.28 64.21 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 154.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.7 m -79.97 -110.49 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.394 0 CA-C-O 117.515 -1.231 . . . . 0.0 109.54 170.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.267 . . 71.18 -66.48 0.29 Allowed 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.976 1.262 . . . . 0.0 113.922 -174.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -69.73 -38.11 76.75 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 161.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 89.6 mmm -68.95 0.61 4.26 Favored 'General case' 0 CA--C 1.575 1.938 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 168.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -122.57 -63.37 1.28 Allowed 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 121.272 1.851 . . . . 0.0 112.091 172.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -68.9 -57.21 5.83 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 113.769 1.025 . . . . 0.0 113.769 -175.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 55.5 t90 -62.53 -32.18 73.08 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 167.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -58.45 -37.12 74.78 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 120.517 1.508 . . . . 0.0 113.911 171.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.8 p -84.05 72.13 10.5 Favored 'General case' 0 CA--C 1.564 1.513 0 CA-C-O 121.855 0.836 . . . . 0.0 111.778 169.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 171.52 -69.46 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 -169.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 m -93.87 70.66 4.04 Favored 'General case' 0 CA--C 1.572 1.803 0 CA-C-O 123.023 1.392 . . . . 0.0 108.144 168.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -91.37 -64.0 1.18 Allowed 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.937 -169.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -32.4 72.57 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 116.039 1.866 . . . . 0.0 116.039 175.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -62.86 -45.91 90.33 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 174.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.07 -48.48 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 CA-C-N 119.156 0.889 . . . . 0.0 112.86 167.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -66.21 -39.18 89.43 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 115.802 1.778 . . . . 0.0 115.802 -170.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -64.49 -27.39 68.95 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 162.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -71.13 -65.02 0.8 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.281 1.033 . . . . 0.0 112.257 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -91.94 126.07 36.88 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 119.413 1.006 . . . . 0.0 108.36 169.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.467 0.6 OUTLIER 55.92 -173.17 0.06 Allowed 'General case' 0 N--CA 1.498 1.975 0 CA-C-N 120.906 1.685 . . . . 0.0 115.059 -167.611 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.251 97.3 mt -113.74 -79.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 106.417 -1.697 . . . . 0.0 106.417 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -87.83 -80.07 0.27 Allowed 'General case' 0 N--CA 1.489 1.482 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.012 -175.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -178.332 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 45.0 p . . . . . 0 CA--C 1.569 1.676 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.52 80.94 2.43 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 C-N-CA 123.295 2.663 . . . . 0.0 112.215 169.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 p30 177.22 146.7 0.11 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.446 1.099 . . . . 0.0 108.682 -167.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.434 HG13 ' H ' ' A' ' 5' ' ' SER 0.363 9.7 p -114.94 -129.93 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 176.378 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.434 ' H ' HG13 ' A' ' 4' ' ' VAL . 46.4 m 54.33 55.1 8.53 Favored 'General case' 0 N--CA 1.498 1.928 0 C-N-CA 124.204 1.002 . . . . 0.0 113.577 -156.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.269 9.8 t 54.55 60.85 3.29 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -165.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -137.92 -44.39 0.52 Allowed 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.32 1.048 . . . . 0.0 111.442 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -22.08 66.75 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 155.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.94 -52.74 32.6 Favored 'General case' 0 CA--C 1.568 1.654 0 CA-C-N 120.239 1.381 . . . . 0.0 113.457 163.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -76.6 -53.36 8.14 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -173.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.25 -54.14 13.99 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 117.845 -1.074 . . . . 0.0 112.396 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.523 65.7 pttt 68.75 -76.44 0.06 Allowed 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 167.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.32 -48.13 52.39 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 168.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -63.48 -41.25 98.58 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 167.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.27 -49.02 70.83 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 116.726 1.45 . . . . 0.0 116.726 171.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -69.46 -31.48 69.81 Favored 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 116.382 1.993 . . . . 0.0 116.382 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.9 m -65.12 -67.08 0.47 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 120.811 1.641 . . . . 0.0 112.241 -174.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.269 0.8 OUTLIER -70.4 -1.15 9.79 Favored 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 119.109 3.003 . . . . 0.0 119.109 173.689 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -76.15 -57.69 3.72 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.785 1.234 . . . . 0.0 111.842 162.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.5 -35.12 79.93 Favored 'General case' 0 CA--C 1.567 1.61 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 172.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -61.32 -51.1 70.26 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 172.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.69 -38.64 88.56 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.04 -51.18 70.3 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 119.274 0.943 . . . . 0.0 113.205 170.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -54.36 -36.04 63.42 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 170.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 mp -71.33 -64.87 0.83 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 119.715 1.143 . . . . 0.0 112.049 174.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.81 -40.1 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 CA-C-N 120.448 1.476 . . . . 0.0 113.912 -172.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.6 t -59.66 -38.28 81.03 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 121.161 1.801 . . . . 0.0 115.818 172.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -71.14 -40.62 71.28 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 168.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.258 79.5 mt -78.49 -93.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 125.133 1.373 . . . . 0.0 107.375 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.259 21.7 tptt 56.35 2.87 0.09 Allowed 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 119.406 3.114 . . . . 0.0 119.406 -169.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -161.23 -8.02 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.2 1.4 . . . . 0.0 114.625 -159.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.6 t -151.4 101.26 2.81 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 121.492 1.951 . . . . 0.0 111.343 -164.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.359 26.7 tt0 69.06 -9.07 0.62 Allowed 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 117.661 2.467 . . . . 0.0 117.661 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tt -70.73 -51.81 24.94 Favored 'General case' 0 CA--C 1.567 1.628 0 O-C-N 120.826 -1.171 . . . . 0.0 107.969 141.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 m -161.02 105.57 1.35 Allowed 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 -169.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.44 -34.88 28.0 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -69.73 -24.74 63.59 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 169.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . 0.283 0.6 OUTLIER -59.81 -19.67 52.2 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 162.554 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -58.81 -53.36 59.27 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-N 120.359 1.436 . . . . 0.0 114.585 168.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.74 -37.0 80.3 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 170.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -59.43 -43.83 93.01 Favored 'General case' 0 CA--C 1.567 1.63 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 168.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -64.36 -35.26 80.29 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 120.947 1.703 . . . . 0.0 114.387 174.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.6 m -64.46 -45.27 88.16 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 167.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.18 -47.11 87.65 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 173.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.8 m -74.06 -57.26 4.08 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.256 1.022 . . . . 0.0 112.788 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -64.01 -45.23 89.88 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -61.77 -32.61 72.89 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 115.778 1.769 . . . . 0.0 115.778 172.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -61.05 -43.12 99.36 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 167.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.79 -45.16 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 CA-C-N 119.398 0.999 . . . . 0.0 112.992 167.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -60.18 -40.78 91.22 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -50.88 -34.74 29.47 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 167.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -86.17 -62.99 1.39 Allowed 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 124.048 0.939 . . . . 0.0 111.617 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.8 mp -89.47 -52.58 4.95 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 125.039 1.335 . . . . 0.0 113.941 -171.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.318 29.3 mmtp 91.25 96.98 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 126.174 1.79 . . . . 0.0 109.507 -175.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mp -127.58 108.18 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 104.494 -2.41 . . . . 0.0 104.494 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.46 -64.65 0.81 Allowed 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 118.341 -0.837 . . . . 0.0 110.829 -179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 CA--C 1.576 1.957 0 CA-C-O 117.697 -1.144 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -79.55 103.63 1.62 Allowed 'Trans proline' 0 CA--C 1.561 1.837 0 C-N-CA 122.999 2.466 . . . . 0.0 110.963 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.336 12.4 m-20 71.25 -92.84 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 124.156 0.983 . . . . 0.0 110.957 -170.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.266 1.4 p -131.73 -60.92 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 C-N-CA 123.456 0.702 . . . . 0.0 110.169 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m 54.04 51.25 14.98 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.254 15.7 t 52.18 62.32 2.76 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -167.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -101.81 -61.93 1.32 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.699 0.8 . . . . 0.0 110.235 171.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.99 -27.94 66.16 Favored 'General case' 0 CA--C 1.565 1.525 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 169.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -63.09 -52.11 63.96 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 119.996 1.271 . . . . 0.0 114.137 175.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -59.9 -30.29 68.92 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 171.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.8 mt -72.65 -42.38 64.42 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -69.3 -30.21 68.23 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 170.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -78.11 -48.23 16.47 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 119.71 1.141 . . . . 0.0 112.749 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -83.87 79.06 9.61 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.133 0.968 . . . . 0.0 109.237 163.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 172.71 -66.43 0.12 Allowed Glycine 0 CA--C 1.543 1.8 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 -166.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -59.06 -38.71 80.02 Favored 'General case' 0 CA--C 1.567 1.633 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 164.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.7 m -60.97 -58.67 7.47 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 119.419 1.009 . . . . 0.0 112.041 173.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -80.64 32.6 0.3 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 170.187 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -91.43 -66.02 0.96 Allowed 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 124.372 1.069 . . . . 0.0 108.746 158.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.18 -40.34 86.55 Favored 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -63.73 -37.0 85.73 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 173.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.8 96.37 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 167.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -54.75 -32.41 59.84 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 116.834 2.161 . . . . 0.0 116.834 166.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -62.73 -39.25 93.51 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 167.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.06 -32.3 73.4 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 167.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.2 mm -64.92 -50.94 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 CA-C-N 120.924 1.693 . . . . 0.0 112.022 172.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.0 p -57.18 -43.08 82.3 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -57.15 -42.3 80.76 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 168.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.8 mm -61.47 -63.14 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 C-N-CA 124.664 1.186 . . . . 0.0 112.988 174.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -65.97 -2.93 4.44 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 119.693 3.22 . . . . 0.0 119.693 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -115.71 -19.21 10.61 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 115.818 1.784 . . . . 0.0 115.818 172.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.1 t -148.01 133.52 18.7 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 124.977 1.311 . . . . 0.0 108.087 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.563 5.2 pt-20 72.54 -23.78 0.2 Allowed 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 119.184 3.031 . . . . 0.0 119.184 -173.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.5 tp -72.9 -46.23 53.81 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-N 119.755 1.162 . . . . 0.0 110.868 144.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.6 m -76.29 -112.13 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 117.41 -1.281 . . . . 0.0 109.808 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.255 . . 66.31 -64.6 0.21 Allowed 'General case' 0 N--CA 1.506 2.357 0 CA-C-N 120.24 1.382 . . . . 0.0 114.624 -170.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -68.13 -40.83 82.36 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 123.981 0.912 . . . . 0.0 113.289 161.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 86.7 mmm -71.86 5.35 2.64 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 116.806 2.15 . . . . 0.0 116.806 169.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.8 ttp85 -135.07 -71.01 0.48 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 120.674 1.579 . . . . 0.0 110.749 -171.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.34 -53.74 26.88 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 50.4 t90 -60.95 -35.88 77.9 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 166.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -60.37 -44.91 95.15 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-N 120.902 1.683 . . . . 0.0 114.09 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 97.2 p -63.64 -40.61 97.32 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 171.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -63.84 -43.82 95.02 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 172.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.2 m -89.33 -58.64 2.46 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 117.712 -1.137 . . . . 0.0 112.191 -170.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -42.18 122.41 2.15 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 126.9 2.08 . . . . 0.0 116.01 -166.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.357 52.5 mt-30 114.31 -54.05 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 CA-C-N 110.889 -2.869 . . . . 0.0 109.774 -152.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -66.8 -34.33 77.57 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 114.864 1.431 . . . . 0.0 114.864 162.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.23 -35.55 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-N 120.321 1.419 . . . . 0.0 113.315 162.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -68.66 -41.26 79.58 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 120.31 1.414 . . . . 0.0 114.474 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -56.3 -39.98 73.6 Favored 'General case' 0 CA--C 1.566 1.591 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 158.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -106.69 62.94 0.64 Allowed 'General case' 0 CA--C 1.564 1.503 0 C-N-CA 124.148 0.979 . . . . 0.0 111.225 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.447 ' H ' HD12 ' A' ' 53' ' ' LEU . 4.3 mp -47.13 -52.48 15.34 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 176.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -115.67 -80.49 0.6 Allowed 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 163.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.02 106.12 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 173.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -151.23 -88.64 0.06 Allowed 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -176.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.272 19.7 m . . . . . 0 N--CA 1.49 1.563 0 C-N-CA 124.917 1.287 . . . . 0.0 111.446 -176.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 CA--C 1.575 1.941 0 CA-C-O 118.545 -0.741 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -87.71 131.95 2.88 Favored 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 122.99 2.46 . . . . 0.0 112.57 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.371 11.6 t70 61.91 -96.6 0.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 173.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.483 HG13 ' H ' ' A' ' 5' ' ' SER 0.385 9.9 p -136.59 -131.12 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.53 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.483 ' H ' HG13 ' A' ' 4' ' ' VAL . 47.4 m 52.93 52.49 13.78 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -159.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 m 61.57 60.43 1.65 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -169.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.69 -40.31 25.64 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.18 -32.78 74.26 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 168.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.61 -46.31 90.74 Favored 'General case' 0 CA--C 1.568 1.661 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 165.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -64.77 -29.28 70.25 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 171.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -73.99 -41.43 61.93 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 173.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -69.18 -29.67 67.72 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 169.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -73.29 -52.63 13.25 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 118.103 -0.951 . . . . 0.0 112.422 169.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -86.36 79.87 8.88 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 122.216 1.007 . . . . 0.0 109.926 167.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 166.72 -43.68 0.26 Allowed Glycine 0 CA--C 1.547 2.094 0 CA-C-N 114.596 -1.184 . . . . 0.0 112.759 -171.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -55.89 -35.94 67.1 Favored 'General case' 0 CA--C 1.572 1.799 0 CA-C-N 119.497 1.648 . . . . 0.0 114.909 141.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.7 m -65.92 142.03 58.02 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 119.507 1.049 . . . . 0.0 109.333 154.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.365 3.0 mt 78.96 -29.46 0.15 Allowed 'General case' 0 N--CA 1.512 2.649 0 N-CA-C 118.08 2.622 . . . . 0.0 118.08 -171.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -91.14 -74.29 0.51 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.748 1.219 . . . . 0.0 111.796 172.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.87 -37.94 82.45 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 172.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -61.31 -37.73 84.3 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 170.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.22 75.26 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 166.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.8 ttm105 -85.13 69.45 10.78 Favored 'General case' 0 CA--C 1.568 1.635 0 CA-C-N 119.382 0.992 . . . . 0.0 110.656 171.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 171.83 -60.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 -162.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.2 tp -67.46 -48.0 68.45 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 170.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.2 mt -67.44 -44.75 86.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 CA-C-O 118.003 -0.998 . . . . 0.0 111.769 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m -55.88 -37.7 69.19 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 172.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -69.34 -41.72 76.25 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 168.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.276 25.4 mm -73.49 -85.96 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 C-N-CA 124.684 1.194 . . . . 0.0 109.126 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? 54.05 63.93 2.01 Favored 'General case' 0 N--CA 1.499 2.025 0 C-N-CA 124.561 1.145 . . . . 0.0 113.235 -173.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.272 7.4 tt0 58.47 64.31 1.5 Allowed 'General case' 0 CA--C 1.567 1.632 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -166.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 t 80.22 136.62 0.06 Allowed 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 125.631 1.572 . . . . 0.0 111.109 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -74.41 24.01 0.09 Allowed 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 170.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -92.28 -43.5 9.25 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.891 1.276 . . . . 0.0 109.102 156.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -67.06 -160.03 0.02 OUTLIER 'General case' 0 CA--C 1.574 1.903 0 CA-C-O 121.465 0.65 . . . . 0.0 112.753 148.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 64.37 -53.16 0.28 Allowed 'General case' 0 N--CA 1.505 2.321 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -149.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -71.16 -38.46 72.18 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 169.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.8 mmm -62.07 -44.48 96.58 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 165.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.9 -38.8 79.84 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.83 -40.39 88.3 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 164.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -65.47 -42.57 92.11 Favored 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 170.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -63.3 -38.47 91.28 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 120.987 1.721 . . . . 0.0 114.105 177.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -66.12 -45.46 81.01 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 169.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.87 -39.01 87.39 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 174.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.0 m -64.62 -42.09 95.74 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 119.476 1.034 . . . . 0.0 113.716 171.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -56.03 -47.82 77.12 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 115.008 1.485 . . . . 0.0 115.008 167.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -60.11 -34.64 73.78 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 168.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -62.83 -43.03 99.89 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 174.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 t -61.84 -43.69 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 CA-C-N 119.6 1.091 . . . . 0.0 113.212 167.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -65.2 -44.25 88.99 Favored 'General case' 0 CA--C 1.562 1.431 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -57.51 -36.11 71.13 Favored 'General case' 0 CA--C 1.566 1.593 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 163.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -112.52 49.76 0.91 Allowed 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 118.964 0.802 . . . . 0.0 112.222 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -78.28 164.36 24.94 Favored 'General case' 0 CA--C 1.567 1.627 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -176.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -84.26 111.44 19.39 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.2 pp -136.33 87.47 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -142.61 -92.73 0.13 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.259 34.2 m . . . . . 0 N--CA 1.491 1.601 0 C-N-CA 124.755 1.222 . . . . 0.0 112.279 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 49.3 m . . . . . 0 CA--C 1.568 1.654 0 CA-C-O 117.531 -1.223 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -77.37 107.34 2.38 Favored 'Trans proline' 0 CA--C 1.562 1.894 0 C-N-CA 122.802 2.334 . . . . 0.0 111.597 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -154.3 147.41 24.68 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 122.046 0.927 . . . . 0.0 110.826 -175.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.0 t -86.07 146.32 6.61 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.86 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.426 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -144.49 73.8 1.39 Allowed 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 172.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.257 40.8 m 47.83 44.37 18.03 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 117.067 2.247 . . . . 0.0 117.067 -164.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.39 -55.79 3.52 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.435 0.694 . . . . 0.0 111.871 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.2 -41.74 99.22 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 168.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -56.68 -50.22 72.76 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -61.39 -40.83 95.8 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 170.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.39 -27.75 62.61 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 170.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -61.71 -54.69 39.23 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 120.903 1.683 . . . . 0.0 115.002 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.29 2.4 pm0 -74.07 -53.57 9.68 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -174.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . 0.266 7.5 p90 -71.16 -22.87 61.99 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 172.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.87 -53.61 39.56 Favored Glycine 0 N--CA 1.49 2.252 0 CA-C-N 119.668 1.122 . . . . 0.0 114.795 165.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -56.14 -33.31 65.06 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 167.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.7 m -58.42 -51.85 68.09 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 119.468 1.031 . . . . 0.0 112.804 167.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.336 3.1 pp -75.45 4.47 7.34 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 119.177 3.029 . . . . 0.0 119.177 170.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -78.07 -60.65 2.29 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.88 0.872 . . . . 0.0 110.784 162.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -56.58 -43.77 80.38 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 171.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -63.02 -37.1 85.82 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 173.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.63 -49.83 61.07 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 173.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -61.55 -36.73 81.44 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 173.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.9 -50.06 72.35 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 117.208 -1.377 . . . . 0.0 114.095 166.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -93.38 45.77 1.18 Allowed 'General case' 0 CA--C 1.57 1.743 0 CA-C-N 120.453 1.479 . . . . 0.0 114.33 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.4 mt -123.62 -54.46 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 154.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.8 t -78.0 90.56 4.18 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-N 120.684 1.583 . . . . 0.0 109.589 167.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 148.82 -63.61 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 126.533 1.933 . . . . 0.0 106.143 -154.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.289 51.9 mt -74.22 -84.07 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.568 1.635 0 C-N-CA 124.406 1.082 . . . . 0.0 108.775 177.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm 55.56 60.24 3.44 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -176.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 50.33 45.02 26.5 Favored 'General case' 0 CA--C 1.575 1.94 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 -170.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.9 t -169.55 151.21 4.31 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.159 0.984 . . . . 0.0 109.01 -168.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.54 6.8 pt-20 69.3 -38.4 0.4 Allowed 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 118.947 2.943 . . . . 0.0 118.947 -175.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.5 -46.02 70.76 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 118.074 0.397 . . . . 0.0 111.143 149.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.7 t -94.19 -126.3 0.11 Allowed 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 160.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 62.31 -49.41 0.17 Allowed 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 116.279 1.955 . . . . 0.0 116.279 -157.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -77.02 -45.03 28.64 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.751 1.221 . . . . 0.0 112.456 171.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 95.4 mmm -60.25 -43.16 96.37 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 166.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -94.04 89.93 6.23 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 120.365 1.438 . . . . 0.0 108.217 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 151.04 -68.1 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 104.415 -2.439 . . . . 0.0 104.415 -151.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -57.8 -38.17 75.04 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 166.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -65.53 -41.17 93.38 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-N 120.223 1.374 . . . . 0.0 113.62 178.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.4 t -92.46 75.65 5.16 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 122.09 0.947 . . . . 0.0 110.247 169.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 174.02 -64.46 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 105.086 -2.19 . . . . 0.0 105.086 -166.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.7 m -65.75 -55.38 17.61 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 124.511 1.125 . . . . 0.0 112.496 169.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -96.07 114.81 26.55 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 123.01 1.386 . . . . 0.0 107.758 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.456 0.0 OUTLIER 126.72 -50.73 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 110.825 -2.898 . . . . 0.0 110.811 -153.069 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -35.94 82.39 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 161.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.6 t -58.54 -53.02 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 CA-C-N 119.758 1.163 . . . . 0.0 112.122 162.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -58.13 -49.5 76.77 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -172.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -55.67 -26.8 46.63 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 118.144 2.646 . . . . 0.0 118.144 171.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -86.5 -60.55 1.96 Allowed 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 118.922 0.783 . . . . 0.0 110.68 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -131.14 132.55 44.86 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 124.475 1.11 . . . . 0.0 108.145 171.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -78.6 109.11 12.51 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 120.69 1.587 . . . . 0.0 110.584 -171.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.6 mt -119.63 110.27 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 N-CA-C 103.992 -2.596 . . . . 0.0 103.992 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -74.03 -63.85 1.13 Allowed 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 118.442 -0.789 . . . . 0.0 113.026 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.1 p . . . . . 0 N--CA 1.487 1.391 0 CA-C-N 119.705 1.139 . . . . 0.0 111.914 176.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.368 6.3 t . . . . . 0 CA--C 1.572 1.796 0 N-CA-C 117.508 2.411 . . . . 0.0 117.508 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.58 107.6 1.4 Allowed 'Trans proline' 0 C--N 1.372 1.773 0 CA-C-N 125.834 3.119 . . . . 0.0 111.444 -172.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -133.21 121.25 22.24 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -172.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.263 11.5 p -84.29 -76.78 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 C-N-CA 123.636 0.774 . . . . 0.0 110.869 -176.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t 52.24 55.09 9.68 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -170.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 m 57.4 66.19 1.2 Allowed 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.277 1.031 . . . . 0.0 113.653 -172.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.73 -63.48 1.4 Allowed 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.544 -177.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.8 mt -73.24 -18.84 61.19 Favored 'General case' 0 CA--C 1.565 1.555 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 172.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -73.73 -54.92 6.97 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-N 120.59 1.541 . . . . 0.0 112.94 172.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.88 -55.59 18.46 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-N 119.179 0.9 . . . . 0.0 113.153 173.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mp -92.13 78.33 5.22 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 171.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -80.75 -51.57 8.5 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 175.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.04 -37.57 61.66 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 174.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -69.89 -39.81 76.03 Favored 'General case' 0 CA--C 1.564 1.513 0 CA-C-N 119.658 1.117 . . . . 0.0 113.802 170.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.77 -49.51 70.06 Favored Glycine 0 N--CA 1.492 2.396 0 CA-C-N 119.983 1.265 . . . . 0.0 115.984 167.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -53.49 -31.61 46.66 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 117.254 2.316 . . . . 0.0 117.254 167.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.4 m -62.59 -61.68 2.26 Favored 'General case' 0 CA--C 1.564 1.489 0 CA-C-N 119.999 1.272 . . . . 0.0 112.397 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.298 2.3 pt? -78.5 4.12 14.15 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 119.209 3.04 . . . . 0.0 119.209 176.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.84 -56.71 3.94 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.189 0.996 . . . . 0.0 111.502 163.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -64.22 -40.21 95.59 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 172.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -60.59 -47.89 84.19 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.12 96.62 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 171.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -57.21 -45.67 83.59 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 168.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.31 -21.22 66.68 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 116.991 2.219 . . . . 0.0 116.991 172.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.19 -39.99 95.16 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 120.741 1.61 . . . . 0.0 115.11 169.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 mp -66.6 -46.59 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 CA-C-N 120.821 1.646 . . . . 0.0 112.443 173.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.1 p -59.58 -30.0 68.35 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 117.413 2.375 . . . . 0.0 117.413 170.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -67.19 -40.18 86.47 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 163.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.296 75.7 mt -81.22 -93.62 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.563 1.457 0 C-N-CA 125.025 1.33 . . . . 0.0 107.515 -177.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.296 75.8 mmtt 56.46 -10.48 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 120.612 3.56 . . . . 0.0 120.612 -164.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -147.82 -88.33 0.09 Allowed 'General case' 0 CA--C 1.556 1.206 0 N-CA-C 104.58 -2.378 . . . . 0.0 104.58 -172.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.2 t -163.48 82.91 0.47 Allowed 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 164.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.369 11.3 pt-20 34.65 32.02 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 N-CA-C 120.426 3.491 . . . . 0.0 120.426 -158.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.4 tt -83.5 -54.5 4.91 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.214 1.005 . . . . 0.0 109.974 169.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.4 t -71.45 -8.39 53.57 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 120.677 3.584 . . . . 0.0 120.677 -166.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.42 -28.11 11.98 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 122.451 2.387 . . . . 0.0 117.051 151.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -70.82 -46.86 62.01 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 123.706 0.803 . . . . 0.0 113.091 167.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 80.4 mmm -58.52 -24.8 61.46 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 169.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -74.32 134.96 42.55 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 121.107 1.776 . . . . 0.0 110.112 166.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.352 18.0 mm-40 103.26 -61.61 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.772 0 C-N-CA 125.048 1.339 . . . . 0.0 108.828 -159.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -60.12 -38.77 84.01 Favored 'General case' 0 CA--C 1.567 1.597 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 168.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -63.14 -39.79 95.71 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 120.622 1.556 . . . . 0.0 114.254 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.5 m -66.96 -44.27 80.98 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 171.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -52.0 -50.37 61.48 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 166.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.7 m -88.35 20.06 3.49 Favored 'General case' 0 CA--C 1.573 1.851 0 C-N-CA 124.799 1.239 . . . . 0.0 113.875 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -81.61 102.43 10.65 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 124.456 2.074 . . . . 0.0 110.105 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.324 12.5 pt20 156.67 -61.3 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 109.192 -3.64 . . . . 0.0 107.41 -157.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -79.18 -43.02 24.74 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 119.076 0.853 . . . . 0.0 112.97 168.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.2 t -56.2 -43.59 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 C-N-CA 124.219 1.008 . . . . 0.0 113.495 162.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -61.03 -52.4 65.14 Favored 'General case' 0 CA--C 1.562 1.429 0 N-CA-C 114.501 1.296 . . . . 0.0 114.501 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.3 -26.45 64.98 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 117.63 2.456 . . . . 0.0 117.63 167.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -92.3 -42.51 9.78 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -175.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . 0.378 6.0 mp 85.09 -83.45 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.073 0 C-N-CA 125.176 1.39 . . . . 0.0 109.865 -175.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.263 35.1 mtmm 75.93 148.16 0.1 Allowed 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 124.553 1.141 . . . . 0.0 113.261 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.8 tp -59.9 -32.09 49.08 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.768 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 171.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.53 -81.19 0.06 Allowed 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 119.415 1.007 . . . . 0.0 110.202 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.6 p . . . . . 0 N--CA 1.486 1.343 0 CA-C-N 119.138 0.881 . . . . 0.0 108.807 168.115 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 CA--C 1.571 1.774 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.73 115.91 4.43 Favored 'Trans proline' 0 CA--C 1.562 1.912 0 C-N-CA 123.117 2.544 . . . . 0.0 111.224 174.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.2 t70 56.89 95.34 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.865 1.266 . . . . 0.0 113.402 -168.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.449 HG13 ' H ' ' A' ' 5' ' ' SER 0.288 14.3 p -82.64 -83.56 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.952 -168.761 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.449 ' H ' HG13 ' A' ' 4' ' ' VAL . 11.5 t 51.9 57.07 6.91 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -168.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m 58.58 63.07 1.78 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -172.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.14 -58.77 2.99 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.66 -8.44 57.26 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 172.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -83.03 -58.47 2.85 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 120.803 1.638 . . . . 0.0 111.825 169.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -64.78 -54.5 30.22 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-N 119.451 1.023 . . . . 0.0 113.448 175.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.0 mt -98.24 79.77 2.59 Favored 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 172.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -74.99 -52.82 10.15 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.7 -46.08 59.85 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 168.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -74.01 -34.55 64.2 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.91 -22.64 78.71 Favored Glycine 0 CA--C 1.552 2.389 0 N-CA-C 117.225 1.65 . . . . 0.0 117.225 164.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -81.76 -152.34 0.1 Allowed 'General case' 0 CA--C 1.58 2.127 0 CA-C-N 119.572 1.686 . . . . 0.0 109.436 155.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.44 24.9 m 67.75 -87.2 0.03 OUTLIER 'General case' 0 CA--C 1.565 1.541 0 O-C-N 120.492 -1.38 . . . . 0.0 113.784 169.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.3 pt? -70.66 -3.46 18.52 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 119.055 2.983 . . . . 0.0 119.055 168.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.8 -56.71 4.41 Favored 'General case' 0 CA--C 1.56 1.334 0 C-N-CA 124.836 1.254 . . . . 0.0 112.035 166.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.63 -42.04 98.33 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 172.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -56.55 -46.17 80.84 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.73 -49.1 72.15 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -57.88 -38.65 76.16 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 170.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -63.38 -44.74 93.89 Favored 'General case' 0 CA--C 1.567 1.617 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 169.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.9 mp -71.47 -48.75 47.26 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.41 -45.01 99.8 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.832 0 CA-C-O 117.436 -1.269 . . . . 0.0 112.488 175.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.9 p -56.43 -39.07 72.46 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 117.041 2.238 . . . . 0.0 117.041 171.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -65.99 -48.92 69.61 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 170.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.312 1.7 mp -71.77 -78.76 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.565 1.537 0 C-N-CA 124.81 1.244 . . . . 0.0 109.78 -177.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 54.11 64.0 1.98 Allowed 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 124.356 1.062 . . . . 0.0 113.173 -172.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.251 8.3 tt0 57.27 64.71 1.54 Allowed 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 124.606 1.162 . . . . 0.0 114.0 -170.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -137.73 -93.73 0.21 Allowed 'General case' 0 N--CA 1.493 1.709 0 CA-C-O 117.707 -1.139 . . . . 0.0 110.024 -177.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -71.26 0.4 8.04 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 166.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -72.9 -49.32 30.36 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.939 -1.101 . . . . 0.0 111.214 155.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.2 m -84.26 -103.63 0.05 OUTLIER 'General case' 0 CA--C 1.558 1.279 0 CA-C-O 117.361 -1.304 . . . . 0.0 110.134 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.297 . . 74.78 -68.75 0.2 Allowed 'General case' 0 N--CA 1.505 2.28 0 CA-C-N 120.165 1.348 . . . . 0.0 112.766 -175.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -68.69 -45.42 71.7 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 118.418 -0.801 . . . . 0.0 112.845 162.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 89.7 mmm -61.2 -29.93 70.11 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 170.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.7 mmm-85 -63.15 -36.56 84.02 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 121.407 1.912 . . . . 0.0 115.641 170.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -59.69 -45.54 91.79 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 165.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -60.62 -38.21 83.99 Favored 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 168.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -66.87 -36.05 81.42 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 121.251 1.841 . . . . 0.0 113.947 172.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.7 p -84.47 73.37 10.52 Favored 'General case' 0 CA--C 1.563 1.444 0 C-N-CA 123.633 0.773 . . . . 0.0 111.245 171.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 161.01 -68.51 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 -156.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.5 m -96.98 -11.99 23.89 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -169.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -83.61 105.32 14.43 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 121.674 2.034 . . . . 0.0 109.048 -174.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.321 12.9 pt20 157.3 -59.35 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 CA-C-N 109.556 -3.475 . . . . 0.0 107.446 -153.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -69.21 -53.99 17.13 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-N 119.239 0.927 . . . . 0.0 112.206 162.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -53.01 -45.07 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 170.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -58.86 -41.49 87.15 Favored 'General case' 0 CA--C 1.565 1.536 0 N-CA-C 115.669 1.729 . . . . 0.0 115.669 176.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.29 -22.28 66.82 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 169.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -79.34 -46.26 18.02 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 120.302 1.41 . . . . 0.0 112.842 169.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.53 -50.85 69.72 Favored 'General case' 0 CA--C 1.565 1.532 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -69.73 -36.02 75.5 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 173.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.303 23.5 mm 73.87 99.69 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 125.202 1.401 . . . . 0.0 108.542 -171.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -73.17 -70.95 0.33 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 118.547 -0.739 . . . . 0.0 112.0 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 N--CA 1.483 1.216 0 CA-C-N 119.058 0.845 . . . . 0.0 109.818 175.361 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 CA--C 1.574 1.874 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -87.79 98.38 0.43 Allowed 'Trans proline' 0 C--N 1.371 1.726 0 C-N-CA 122.88 2.387 . . . . 0.0 110.729 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -94.56 116.51 28.86 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -171.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.558 HG13 ' H ' ' A' ' 5' ' ' SER 0.332 14.8 p -138.27 -113.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -170.268 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.558 ' H ' HG13 ' A' ' 4' ' ' VAL . 48.5 m 50.26 46.53 24.84 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -164.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 m -157.98 -62.83 0.09 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.596 1.159 . . . . 0.0 108.669 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.54 88.11 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 160.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.84 -36.78 79.99 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 164.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -52.26 -51.02 60.86 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 168.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -94.63 64.05 2.96 Favored 'General case' 0 CA--C 1.566 1.578 0 CA-C-O 121.63 0.728 . . . . 0.0 111.575 167.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.1 tp -135.53 -68.11 0.52 Allowed 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 168.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -48.97 77.06 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 169.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -95.39 77.11 3.39 Favored 'General case' 0 CA--C 1.559 1.311 0 CA-C-O 121.748 0.785 . . . . 0.0 109.245 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -156.8 -52.55 0.08 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 124.372 1.069 . . . . 0.0 109.481 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.74 -42.49 93.14 Favored Glycine 0 CA--C 1.554 2.522 0 CA-C-N 120.393 1.451 . . . . 0.0 115.267 158.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.03 -28.07 66.07 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 165.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.9 m -62.5 -59.47 4.91 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-N 120.046 1.294 . . . . 0.0 112.867 177.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.282 2.3 pt? -75.71 2.85 10.98 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 118.786 2.884 . . . . 0.0 118.786 171.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -77.94 -58.28 3.35 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.144 0.977 . . . . 0.0 111.077 163.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -61.72 -43.46 98.8 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 174.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -55.19 -50.03 70.41 Favored 'General case' 0 CA--C 1.565 1.532 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 171.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.96 96.38 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 172.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -58.33 -45.4 88.16 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 170.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.92 -42.86 99.58 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 170.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.1 -52.51 41.04 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 119.491 1.041 . . . . 0.0 113.658 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.05 -47.53 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 CA-C-O 117.901 -1.047 . . . . 0.0 113.022 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.8 m -60.04 -39.67 86.71 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.6 ttp-105 -66.59 -39.64 88.52 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 169.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.282 25.5 mm -72.73 -87.59 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 124.979 1.311 . . . . 0.0 109.179 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 52.31 15.21 0.44 Allowed 'General case' 0 N--CA 1.503 2.184 0 N-CA-C 118.686 2.847 . . . . 0.0 118.686 -169.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -149.81 -40.92 0.14 Allowed 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -161.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -126.75 105.42 8.66 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.979 0.912 . . . . 0.0 109.525 -173.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.38 18.9 tt0 78.33 -21.01 0.35 Allowed 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 117.542 2.423 . . . . 0.0 117.542 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.2 -49.2 52.67 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 119.858 1.208 . . . . 0.0 110.772 150.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.4 m -86.59 -108.23 0.06 Allowed 'General case' 0 CA--C 1.559 1.29 0 CA-C-O 117.464 -1.255 . . . . 0.0 109.521 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.284 . . 68.88 -67.52 0.21 Allowed 'General case' 0 N--CA 1.506 2.342 0 CA-C-N 120.085 1.312 . . . . 0.0 113.951 -169.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -73.39 -36.46 66.04 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 166.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 94.6 mmm -62.31 -35.73 79.94 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 164.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -54.87 -48.22 73.25 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 120.98 1.718 . . . . 0.0 114.7 169.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.49 -41.96 98.06 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 170.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -64.65 -40.49 95.53 Favored 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 173.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -65.43 -31.05 71.94 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 120.623 1.556 . . . . 0.0 114.35 175.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.7 m -66.8 -48.92 67.47 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 165.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -54.1 -42.29 69.23 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 172.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.6 m -83.48 -47.75 11.03 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 117.953 -1.022 . . . . 0.0 112.751 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -80.69 102.96 10.21 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 124.469 2.081 . . . . 0.0 109.627 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.336 9.5 pt20 161.34 -59.67 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 109.235 -3.62 . . . . 0.0 107.86 -159.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -67.73 -46.34 72.45 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 119.39 0.996 . . . . 0.0 113.002 161.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.5 t -60.35 -44.62 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 C-N-CA 123.753 0.821 . . . . 0.0 113.173 168.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -60.78 -52.36 65.41 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.84 -24.65 64.37 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 168.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -77.67 -60.2 2.46 Favored 'General case' 0 CA--C 1.562 1.421 0 CA-C-N 119.258 0.936 . . . . 0.0 112.136 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . 0.258 2.1 pt? -146.58 -36.12 0.25 Allowed 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -172.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.358 54.5 mtmt 79.65 -79.52 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 124.999 1.32 . . . . 0.0 110.5 -166.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.451 HD12 ' H ' ' A' ' 56' ' ' ASP 0.319 1.1 pp -133.86 -65.07 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 C-N-CA 124.013 0.925 . . . . 0.0 110.222 176.646 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.451 ' H ' HD12 ' A' ' 55' ' ' ILE . 11.3 m-20 -106.76 -90.64 0.42 Allowed 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 118.135 -0.936 . . . . 0.0 108.491 -178.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.252 14.6 t . . . . . 0 N--CA 1.49 1.54 0 C-N-CA 124.77 1.228 . . . . 0.0 112.915 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 CA--C 1.575 1.908 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -73.67 117.56 5.1 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 122.945 2.43 . . . . 0.0 113.535 -174.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -89.85 147.7 23.62 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.345 0.658 . . . . 0.0 111.187 -175.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.532 ' H ' ' H ' ' A' ' 7' ' ' ALA 0.431 93.9 t -107.29 -99.41 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-O 116.898 -1.525 . . . . 0.0 108.297 -172.477 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 t -91.49 64.83 5.11 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 122.128 2.24 . . . . 0.0 109.033 163.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m 50.3 46.8 24.65 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -156.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.532 ' H ' ' H ' ' A' ' 4' ' ' VAL . . . -75.48 -59.83 2.57 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -173.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 mp -78.14 7.9 5.6 Favored 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 171.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.8 -52.35 38.14 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 119.771 1.169 . . . . 0.0 113.302 173.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -64.39 -55.37 21.53 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 170.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.3 mt -89.88 74.68 7.35 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 118.836 0.744 . . . . 0.0 110.003 171.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -86.88 -36.96 18.12 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 174.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -43.77 97.93 Favored 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 164.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -92.49 80.79 4.85 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.235 1.017 . . . . 0.0 108.405 168.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.66 -62.32 0.18 Allowed Glycine 0 CA--C 1.54 1.596 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.615 -163.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.58 -43.2 99.4 Favored 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 168.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.253 9.2 t -61.34 -54.32 45.29 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 176.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.1 pt? -84.1 26.19 0.77 Allowed 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 116.838 2.162 . . . . 0.0 116.838 170.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -89.68 -61.83 1.61 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 123.961 0.904 . . . . 0.0 109.775 155.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -63.61 -44.89 92.65 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -62.33 -39.52 93.36 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 173.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.6 -49.32 73.79 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 173.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -56.67 -46.02 81.38 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 171.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.83 -37.41 76.38 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 168.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 tp -66.24 -32.31 73.65 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 171.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.0 mm -64.53 -45.37 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 CA-C-N 120.475 1.489 . . . . 0.0 112.305 168.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.0 m -55.35 -36.49 66.36 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 169.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -66.79 -46.85 73.93 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 166.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.258 80.0 mt -68.31 -79.7 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 C-N-CA 124.857 1.263 . . . . 0.0 110.371 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt 59.2 72.54 0.52 Allowed 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.613 1.165 . . . . 0.0 112.491 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.326 5.7 tt0 76.37 -26.43 0.19 Allowed 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 117.838 2.532 . . . . 0.0 117.838 -174.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.7 p -65.6 164.11 14.88 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -172.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.573 0.2 OUTLIER 68.27 -30.23 0.17 Allowed 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 119.577 3.177 . . . . 0.0 119.577 -174.744 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.5 tp -73.46 -47.1 44.12 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 118.902 0.774 . . . . 0.0 110.398 142.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.9 m -83.34 -125.19 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 118.161 -0.923 . . . . 0.0 108.736 169.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.265 . . 66.47 -65.73 0.19 Allowed 'General case' 0 N--CA 1.505 2.312 0 CA-C-N 119.813 1.188 . . . . 0.0 113.397 -161.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -62.16 -40.42 95.91 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 161.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 89.4 mmm -69.55 -44.08 71.65 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 117.441 -1.266 . . . . 0.0 113.725 170.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -83.65 84.34 7.58 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 120.545 1.52 . . . . 0.0 109.652 172.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 159.05 -66.53 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 104.682 -2.34 . . . . 0.0 104.682 -158.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -57.35 -38.72 74.59 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 165.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -62.78 -38.26 89.95 Favored 'General case' 0 N--CA 1.503 2.179 0 CA-C-N 120.468 1.485 . . . . 0.0 114.029 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.2 t -67.25 -48.9 66.36 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 170.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.47 -40.28 95.4 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 176.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.9 m -64.13 -40.78 96.91 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 171.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.48 -51.85 68.14 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 168.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -55.41 -35.91 65.87 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 116.482 2.03 . . . . 0.0 116.482 171.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -57.89 -40.54 80.54 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 169.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 t -58.37 -49.61 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-N 119.421 1.01 . . . . 0.0 112.863 167.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HA ' ' H ' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -62.9 -48.5 78.71 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -178.15 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -53.46 -32.08 48.47 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 116.62 2.082 . . . . 0.0 116.62 169.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -81.89 -60.84 2.09 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 118.46 -0.781 . . . . 0.0 112.445 178.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . 0.279 0.9 OUTLIER -140.05 -42.1 0.43 Allowed 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -165.076 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -79.89 -57.84 3.46 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 120.116 1.325 . . . . 0.0 113.644 -165.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.465 ' H ' ' HA ' ' A' ' 50' ' ' LYS 0.328 63.3 mt 80.26 118.38 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 C-N-CA 124.706 1.202 . . . . 0.0 109.225 172.636 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . 0.333 14.5 t70 76.29 -86.81 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.194 0 C-N-CA 124.514 1.125 . . . . 0.0 111.967 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 N--CA 1.487 1.376 0 C-N-CA 123.317 0.647 . . . . 0.0 111.006 -172.132 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 42.2 p . . . . . 0 CA--C 1.573 1.846 0 CA-C-O 118.373 -0.823 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.3 131.97 17.19 Favored 'Trans proline' 0 CA--C 1.561 1.836 0 C-N-CA 123.026 2.484 . . . . 0.0 112.862 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.344 11.7 m-20 72.62 -93.69 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 124.197 0.999 . . . . 0.0 111.243 -177.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.369 8.2 p -135.88 -146.61 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.335 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.25 10.8 t 59.88 60.19 2.24 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 124.154 0.982 . . . . 0.0 112.468 -151.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.261 8.9 t 67.12 68.71 0.4 Allowed 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.359 1.064 . . . . 0.0 112.891 -173.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.46 -59.78 0.19 Allowed 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.938 0.895 . . . . 0.0 109.317 172.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.4 tp -68.34 -42.15 79.69 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 157.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -32.54 71.59 Favored 'General case' 0 CA--C 1.564 1.513 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 166.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -67.53 -62.46 1.41 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 120.024 1.284 . . . . 0.0 111.902 165.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.8 -34.07 62.28 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 117.684 2.475 . . . . 0.0 117.684 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -54.67 -34.09 61.73 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 117.403 2.371 . . . . 0.0 117.403 173.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -130.62 62.83 1.59 Allowed 'General case' 0 CA--C 1.565 1.533 0 CA-C-O 121.675 0.75 . . . . 0.0 110.933 162.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -156.35 -57.11 0.09 Allowed 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.616 -1.183 . . . . 0.0 108.563 174.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.42 -44.44 84.25 Favored Glycine 0 N--CA 1.492 2.432 0 CA-C-N 120.725 1.602 . . . . 0.0 115.125 164.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -54.84 -35.06 63.57 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 116.458 2.021 . . . . 0.0 116.458 164.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.7 m -60.94 -63.72 1.2 Allowed 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 117.266 -1.349 . . . . 0.0 112.384 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.3 2.0 pt? -73.72 1.19 10.87 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 175.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -81.07 -56.87 3.81 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 124.179 0.991 . . . . 0.0 111.908 166.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.08 -36.52 82.17 Favored 'General case' 0 CA--C 1.567 1.596 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 171.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -61.79 -46.06 91.18 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.42 84.44 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 116.358 1.984 . . . . 0.0 116.358 170.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 ttm105 -60.15 -47.8 84.42 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 170.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.88 -42.48 98.03 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 169.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.0 tp -58.33 -48.42 80.61 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 173.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.87 -35.73 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 C-N-CA 124.19 0.996 . . . . 0.0 113.637 172.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.2 m -58.12 -46.56 85.39 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 172.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -71.2 -49.66 41.22 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 172.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.267 1.7 mp -71.29 -74.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 C-N-CA 124.627 1.171 . . . . 0.0 109.747 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 tptp 55.79 59.44 3.81 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.768 1.227 . . . . 0.0 114.299 -177.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.256 54.8 mt-30 52.71 60.99 3.41 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -169.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -154.56 110.4 3.18 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.39 22.5 tt0 78.93 -26.22 0.18 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 -169.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -76.44 -42.44 43.94 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 119.305 0.957 . . . . 0.0 110.335 150.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.7 m -128.57 89.57 2.92 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 123.341 1.544 . . . . 0.0 109.69 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.6 -31.7 7.99 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-N 113.451 -1.704 . . . . 0.0 112.512 147.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -74.75 -41.88 59.29 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 170.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.3 mmm -62.82 -40.15 96.49 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 116.847 -1.549 . . . . 0.0 114.807 166.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -66.34 -41.94 88.85 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 121.55 1.977 . . . . 0.0 115.797 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.09 -40.21 92.86 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 166.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -60.82 -40.24 92.02 Favored 'General case' 0 CA--C 1.566 1.583 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 169.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -65.95 -35.83 81.67 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 121.129 1.786 . . . . 0.0 113.963 174.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -89.64 77.37 7.17 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.579 0.704 . . . . 0.0 109.951 168.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 164.37 -71.4 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 104.343 -2.466 . . . . 0.0 104.343 -161.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.6 m -92.59 66.96 4.58 Favored 'General case' 0 CA--C 1.572 1.81 0 CA-C-O 123.124 1.44 . . . . 0.0 109.001 168.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -92.1 -62.91 1.31 Allowed 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.725 -169.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -63.96 -36.24 83.32 Favored 'General case' 0 CA--C 1.566 1.568 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 174.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -60.71 -26.66 67.32 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 171.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.1 t -88.8 -54.64 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 CA-C-N 119.65 1.113 . . . . 0.0 110.82 166.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -65.95 -52.21 51.71 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 -165.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -75.2 -12.03 60.2 Favored 'General case' 0 CA--C 1.563 1.479 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 173.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -88.49 -45.77 9.66 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 120.705 1.593 . . . . 0.0 111.7 173.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.3 mt -91.03 85.61 5.99 Favored 'General case' 0 CA--C 1.564 1.502 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 169.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.44 -67.1 0.49 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.745 -0.597 . . . . 0.0 109.581 -171.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 93.7 mt -72.6 -57.28 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 C-N-CA 123.577 0.751 . . . . 0.0 109.782 171.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -54.37 -51.18 65.63 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 116.785 2.142 . . . . 0.0 116.785 173.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 177.164 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.366 6.2 t . . . . . 0 CA--C 1.573 1.834 0 N-CA-C 117.523 2.416 . . . . 0.0 117.523 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -83.73 110.15 1.6 Allowed 'Trans proline' 0 CA--C 1.56 1.802 0 CA-C-N 125.786 3.102 . . . . 0.0 111.609 -171.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -93.67 124.17 37.49 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.14 0.576 . . . . 0.0 109.616 -176.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 t -134.42 -48.72 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-O 117.708 -1.139 . . . . 0.0 111.198 -172.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 m -75.6 89.19 2.74 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 119.562 1.074 . . . . 0.0 111.354 -167.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.1 m 59.64 63.48 1.5 Allowed 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 113.864 -1.517 . . . . 0.0 113.484 -166.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.18 -62.4 1.45 Allowed 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.297 0.639 . . . . 0.0 111.369 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.68 -39.36 88.08 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 171.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -50.9 -42.28 59.13 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 117.34 2.348 . . . . 0.0 117.34 176.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -68.11 -40.85 82.48 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.298 1.7 pt? -74.48 -34.21 63.05 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 174.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -65.81 -41.8 91.41 Favored 'General case' 0 N--CA 1.497 1.906 0 CA-C-N 120.699 1.59 . . . . 0.0 115.122 168.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.02 -32.17 73.5 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 168.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.39 -50.76 72.72 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 120.084 1.311 . . . . 0.0 113.479 167.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.18 -42.3 81.45 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 117.224 1.649 . . . . 0.0 117.224 170.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -59.39 -41.52 89.59 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 170.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.7 p -65.71 -58.22 6.21 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 117.209 -1.377 . . . . 0.0 113.87 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.359 1.4 pt? -75.68 -3.91 37.29 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 118.933 2.938 . . . . 0.0 118.933 177.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -75.83 -52.33 10.62 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.77 0.828 . . . . 0.0 112.488 160.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.83 -43.11 94.75 Favored 'General case' 0 CA--C 1.566 1.568 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 170.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -63.87 -40.66 97.08 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 173.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.81 97.44 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 115.68 1.734 . . . . 0.0 115.68 170.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -59.53 -43.24 93.51 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 168.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -56.07 -45.25 79.39 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 114.924 1.454 . . . . 0.0 114.924 167.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.66 -38.65 87.29 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 174.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.3 mt -62.7 -35.39 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 CA-C-N 119.594 1.088 . . . . 0.0 113.815 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 91.6 p -58.33 -39.92 80.73 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 169.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -71.59 -49.09 43.72 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 168.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.3 mm -73.09 -73.91 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 125.087 1.355 . . . . 0.0 110.73 -174.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.263 14.2 tptp 61.33 62.59 1.34 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.283 1.433 . . . . 0.0 113.73 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . 0.301 6.2 tt0 51.77 59.71 4.37 Favored 'General case' 0 CA--C 1.565 1.557 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -170.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.7 m -58.64 -37.62 76.33 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 118.718 2.858 . . . . 0.0 118.718 172.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.372 11.2 tt0 66.44 3.06 2.68 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 117.467 2.395 . . . . 0.0 117.467 -161.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.3 tp -91.32 -51.28 5.37 Favored 'General case' 0 CA--C 1.561 1.4 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 146.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.9 m -112.76 131.73 55.55 Favored 'General case' 0 CA--C 1.556 1.197 0 CA-C-O 123.0 1.381 . . . . 0.0 108.049 166.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.34 . . 112.46 -47.62 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 113.134 -1.848 . . . . 0.0 108.618 -144.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -67.61 -36.03 80.07 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 153.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.9 mmm -78.93 5.84 10.64 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 117.203 2.297 . . . . 0.0 117.203 172.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.251 24.2 ptt85 -138.82 -56.73 0.62 Allowed 'General case' 0 N--CA 1.494 1.751 0 CA-C-N 121.169 1.804 . . . . 0.0 112.698 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -70.35 -55.61 8.71 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 120.015 1.28 . . . . 0.0 112.8 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 49.8 t90 -64.16 -34.86 79.03 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 168.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -60.32 -40.35 90.27 Favored 'General case' 0 N--CA 1.5 2.055 0 CA-C-N 121.442 1.928 . . . . 0.0 114.425 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.8 t -61.9 -45.86 91.9 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 170.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -63.6 -36.54 84.15 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 116.534 2.05 . . . . 0.0 116.534 169.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.9 m -137.35 67.56 1.43 Allowed 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 123.282 1.515 . . . . 0.0 109.822 -165.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -148.0 -65.19 0.25 Allowed 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.145 169.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -71.08 -31.51 67.92 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 170.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -57.28 -43.46 83.15 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 165.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.41 -45.03 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 170.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -65.91 -42.99 89.47 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -61.56 -31.84 71.9 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 163.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -114.18 54.31 0.76 Allowed 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 119.47 1.032 . . . . 0.0 112.25 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.8 mt -81.14 119.27 23.37 Favored 'General case' 0 CA--C 1.568 1.635 0 O-C-N 121.169 -0.957 . . . . 0.0 109.436 171.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.45 149.44 17.07 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 119.838 1.199 . . . . 0.0 110.342 -177.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.291 0.2 OUTLIER -66.36 -51.85 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 175.801 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -115.15 -93.37 0.49 Allowed 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.486 1.338 0 CA-C-N 119.689 1.131 . . . . 0.0 108.438 -179.13 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.368 6.2 t . . . . . 0 CA--C 1.573 1.853 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -83.66 111.22 1.73 Allowed 'Trans proline' 0 CA--C 1.56 1.804 0 CA-C-N 125.72 3.078 . . . . 0.0 111.599 -170.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -90.4 116.26 28.21 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -176.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.304 38.6 t -117.89 -79.01 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.462 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 -170.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t 50.5 61.68 3.09 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-N 120.585 1.539 . . . . 0.0 115.043 -174.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t 56.79 65.77 1.33 Allowed 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -170.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -136.46 -74.29 0.43 Allowed 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mp -100.52 55.38 0.89 Allowed 'General case' 0 CA--C 1.575 1.937 0 CA-C-O 123.426 1.584 . . . . 0.0 111.313 167.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -106.13 53.15 0.71 Allowed 'General case' 0 N--CA 1.504 2.247 0 CA-C-O 124.047 1.88 . . . . 0.0 113.573 -168.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt 51.24 50.88 18.07 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 111.764 -2.471 . . . . 0.0 114.652 -168.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.385 1.3 pt? 34.46 58.4 0.66 Allowed 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 118.172 2.656 . . . . 0.0 118.172 -166.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -72.41 -44.73 62.04 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 169.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.15 -50.91 13.31 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.816 1.246 . . . . 0.0 114.0 177.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -65.43 -42.16 92.74 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 172.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.2 -46.39 62.9 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 117.025 1.57 . . . . 0.0 117.025 170.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -61.34 -33.28 73.36 Favored 'General case' 0 CA--C 1.571 1.771 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 168.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.9 m -63.5 -60.0 3.92 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-N 119.955 1.252 . . . . 0.0 112.949 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.292 1.8 pt? -74.56 -0.12 16.69 Favored 'General case' 0 N--CA 1.502 2.125 0 N-CA-C 118.922 2.934 . . . . 0.0 118.922 172.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -76.25 -56.13 4.93 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 124.539 1.136 . . . . 0.0 111.832 163.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.45 -46.26 89.32 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 173.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -47.08 77.24 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 173.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.63 -31.0 72.03 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 169.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -61.88 -49.41 76.34 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 170.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.85 -38.84 92.33 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 171.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 mt -69.2 -47.33 65.14 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.0 mt -70.74 -49.9 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 CA-C-O 117.545 -1.217 . . . . 0.0 111.594 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.9 m -81.3 87.67 6.12 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 120.443 1.474 . . . . 0.0 109.699 173.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 153.82 -63.48 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 105.79 -1.929 . . . . 0.0 105.79 -155.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.262 83.5 mt -69.34 -84.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 C-N-CA 125.184 1.393 . . . . 0.0 108.611 173.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.253 31.9 mmmt 56.27 11.59 0.83 Allowed 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 118.687 2.847 . . . . 0.0 118.687 -174.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -150.96 -44.91 0.12 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 124.552 1.141 . . . . 0.0 113.317 -161.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.1 t -111.03 103.08 11.51 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.985 0.914 . . . . 0.0 109.654 -176.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.37 19.8 tt0 76.97 -18.17 0.51 Allowed 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 117.442 2.386 . . . . 0.0 117.442 -176.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -71.22 -49.36 44.21 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 120.071 1.305 . . . . 0.0 110.737 153.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.3 t -85.2 -120.28 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.286 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 171.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 63.7 -47.42 0.26 Allowed 'General case' 0 N--CA 1.505 2.317 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 -158.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -85.43 -38.68 18.39 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 124.316 1.046 . . . . 0.0 113.757 169.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 90.1 mmm -59.76 -28.38 67.34 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 116.757 -1.592 . . . . 0.0 114.883 163.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -84.04 114.53 21.8 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 121.932 2.151 . . . . 0.0 107.636 161.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.304 25.3 mt-10 126.68 -62.63 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.401 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 -152.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -62.56 -42.0 99.26 Favored 'General case' 0 CA--C 1.567 1.629 0 CA-C-O 116.971 -1.49 . . . . 0.0 114.661 165.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -64.64 -34.42 78.25 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 121.601 2.001 . . . . 0.0 114.355 175.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.2 p -68.22 -38.32 81.77 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 171.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -71.1 -54.22 11.88 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 168.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.0 m -90.33 65.93 6.38 Favored 'General case' 0 CA--C 1.573 1.847 0 CA-C-O 123.133 1.445 . . . . 0.0 109.963 175.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -88.97 -62.26 1.52 Allowed 'General case' 0 N--CA 1.489 1.496 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.905 -172.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -63.42 -33.94 76.65 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 176.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -59.85 -48.86 79.99 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 173.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.04 -52.31 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 CA-C-O 117.924 -1.036 . . . . 0.0 112.416 169.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -62.78 -31.71 72.73 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 118.114 2.635 . . . . 0.0 118.114 -165.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -58.9 -37.04 75.71 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 165.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -76.36 -42.18 45.63 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 169.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . 0.377 21.2 mt 98.39 -65.82 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 C-N-CA 126.008 1.723 . . . . 0.0 111.756 178.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 72.75 112.91 0.06 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 124.755 1.222 . . . . 0.0 111.169 -172.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.0 tp -65.98 -46.9 86.96 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.714 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 169.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -76.35 -76.09 0.17 Allowed 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 118.192 -0.909 . . . . 0.0 112.083 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.257 23.4 m . . . . . 0 N--CA 1.491 1.579 0 C-N-CA 124.694 1.198 . . . . 0.0 111.867 -174.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 CA--C 1.575 1.914 0 CA-C-O 117.798 -1.096 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.12 106.29 2.13 Favored 'Trans proline' 0 CA--C 1.56 1.797 0 C-N-CA 123.023 2.482 . . . . 0.0 111.438 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -95.2 116.77 29.18 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -174.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.25 74.2 t -114.41 -67.27 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.525 -169.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t 52.04 57.58 6.34 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -174.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m 52.97 60.3 3.88 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -170.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -108.99 -58.9 1.96 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.016 0.926 . . . . 0.0 110.418 173.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.57 -30.37 71.39 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 167.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -60.91 -47.53 85.97 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 172.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -70.02 -45.21 67.7 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 170.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.6 tp -67.07 -30.08 70.03 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 -176.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -57.59 -41.19 80.68 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 176.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.49 -47.84 4.53 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.11 -45.36 77.45 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.0 -45.56 96.37 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 170.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -62.07 -36.16 80.82 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 172.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 94.8 m -61.24 -57.27 13.08 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.813 1.188 . . . . 0.0 112.105 170.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.288 3.5 pp -66.77 -3.54 6.99 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 119.719 3.229 . . . . 0.0 119.719 172.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -78.68 -60.34 2.42 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 124.59 1.156 . . . . 0.0 111.028 168.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -63.09 -38.15 90.03 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -58.18 -45.87 86.77 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 172.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.82 -38.25 83.01 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 172.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -61.81 -45.38 94.11 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 170.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.95 -41.65 96.71 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 169.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.4 tp -66.32 -44.24 83.9 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 175.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.7 mt -64.58 -42.55 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 CA-C-N 119.618 1.099 . . . . 0.0 112.502 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.1 m -55.73 -41.12 73.45 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 169.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -64.84 -45.53 85.74 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 168.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.3 mm -76.63 -77.55 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 C-N-CA 124.694 1.197 . . . . 0.0 110.337 -172.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp 51.62 64.0 2.02 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 124.739 1.215 . . . . 0.0 114.02 -171.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 49.31 50.64 17.72 Favored 'General case' 0 CA--C 1.568 1.659 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 -171.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.9 p -58.75 139.55 56.08 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 -171.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.404 23.5 tt0 82.2 -39.87 0.11 Allowed 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 -175.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.25 -41.46 89.94 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 154.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.0 m -81.95 -112.39 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 117.558 -1.21 . . . . 0.0 109.025 172.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . 0.261 . . 67.05 -67.33 0.17 Allowed 'General case' 0 N--CA 1.504 2.251 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -172.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -67.46 -39.99 85.34 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 165.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.4 mmt -54.43 -48.33 71.8 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 166.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -61.67 -47.44 85.34 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 177.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -62.26 -43.17 99.44 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 173.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -62.74 -37.99 88.75 Favored 'General case' 0 CA--C 1.565 1.532 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 170.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -63.38 -33.76 76.24 Favored 'General case' 0 N--CA 1.503 2.179 0 CA-C-N 120.774 1.624 . . . . 0.0 114.054 174.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.2 t -66.53 -43.94 83.82 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 166.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.78 -53.6 56.53 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 172.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.4 m -60.68 -44.5 96.42 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -53.64 -52.47 59.84 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 169.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -64.31 -36.36 83.88 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 116.042 1.867 . . . . 0.0 116.042 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -63.0 -42.95 99.97 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.0 t -64.89 -47.8 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.098 0 CA-C-N 119.582 1.083 . . . . 0.0 112.466 168.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -61.51 -47.05 87.38 Favored 'General case' 0 CA--C 1.562 1.423 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -174.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -55.86 -29.69 60.3 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 117.352 2.352 . . . . 0.0 117.352 169.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -75.42 -42.1 54.36 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 172.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.14 149.9 45.94 Favored 'General case' 0 CA--C 1.568 1.671 0 C-N-CA 124.356 1.062 . . . . 0.0 112.498 174.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.288 0.0 OUTLIER -155.61 -61.77 0.11 Allowed 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 118.703 -0.665 . . . . 0.0 110.845 -177.811 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.2 mm -97.29 96.06 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 176.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -96.79 -83.74 0.38 Allowed 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 118.249 -0.882 . . . . 0.0 109.708 -172.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.5 m . . . . . 0 N--CA 1.486 1.374 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.503 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.5 t . . . . . 0 CA--C 1.575 1.904 0 CA-C-O 118.486 -0.768 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -88.76 91.88 0.4 Allowed 'Trans proline' 0 CA--C 1.562 1.883 0 C-N-CA 123.046 2.497 . . . . 0.0 111.05 178.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -81.13 148.43 29.6 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.629 0.771 . . . . 0.0 112.971 -176.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.2 t -82.69 -37.12 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 CA-C-O 117.799 -1.096 . . . . 0.0 113.086 -174.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 m -60.47 -17.82 47.45 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 119.128 3.01 . . . . 0.0 119.128 172.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 t -85.83 -68.75 0.71 Allowed 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 124.079 0.952 . . . . 0.0 109.704 156.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 0.353 . . 83.73 -45.08 0.11 Allowed 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 125.765 1.626 . . . . 0.0 114.427 -175.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -150.38 -68.31 0.19 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.458 1.103 . . . . 0.0 108.622 168.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 t70 53.84 44.18 29.88 Favored 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 117.843 2.535 . . . . 0.0 117.843 174.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.32 58.44 4.96 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 111.785 -2.461 . . . . 0.0 113.417 -170.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 50.51 55.62 9.22 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -173.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.305 3.9 tmtt? -119.33 58.55 0.87 Allowed 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 122.365 1.079 . . . . 0.0 109.612 167.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.27 1.0 OUTLIER -177.43 -56.44 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 125.685 1.594 . . . . 0.0 108.811 178.804 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -77.52 -29.82 52.59 Favored 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 163.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.2 -40.65 94.09 Favored Glycine 0 CA--C 1.555 2.565 0 CA-C-N 120.267 1.394 . . . . 0.0 116.289 158.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -64.75 -32.54 74.27 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 166.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.8 m -61.77 -53.73 51.97 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 120.174 1.352 . . . . 0.0 112.749 170.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.343 2.9 pp -73.28 0.92 10.55 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 119.099 2.999 . . . . 0.0 119.099 171.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -77.13 -56.42 4.59 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.107 0.963 . . . . 0.0 111.245 164.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -60.23 -39.71 87.61 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 172.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -59.85 -49.91 75.85 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 171.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.18 95.62 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 173.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -58.0 -43.65 86.76 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 171.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.0 -45.6 92.22 Favored 'General case' 0 CA--C 1.566 1.559 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 168.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -74.36 -40.9 61.83 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.58 -48.32 80.76 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.833 0 CA-C-N 120.589 1.54 . . . . 0.0 111.663 172.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.8 t -54.82 -36.56 65.12 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 116.81 2.152 . . . . 0.0 116.81 169.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -62.38 -60.22 3.87 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.805 0.842 . . . . 0.0 112.6 167.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.268 10.1 mm -48.35 -66.99 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -171.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.345 0.0 OUTLIER -69.64 1.66 3.96 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 118.397 2.74 . . . . 0.0 118.397 -177.656 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -136.73 59.03 1.71 Allowed 'General case' 0 CA--C 1.569 1.709 0 C-N-CA 124.195 0.998 . . . . 0.0 110.792 160.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.8 p -154.99 152.72 30.01 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.091 -1.006 . . . . 0.0 111.722 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.32 4.64 4.39 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 117.753 2.501 . . . . 0.0 117.753 161.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -76.79 -32.45 57.66 Favored 'General case' 0 CA--C 1.564 1.49 0 CA-C-N 119.279 0.945 . . . . 0.0 112.74 166.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.6 p -63.6 -41.26 98.34 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 119.816 3.265 . . . . 0.0 119.816 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.91 -17.75 10.72 Favored 'General case' 0 CA--C 1.568 1.645 0 N-CA-C 117.354 2.353 . . . . 0.0 117.354 159.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -77.98 -48.45 16.2 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 118.67 0.668 . . . . 0.0 112.642 169.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.4 mmm -50.64 -44.65 57.47 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 164.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -72.14 -44.4 63.17 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -174.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -58.27 -42.88 87.5 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 164.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -59.54 -40.97 88.98 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 171.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.84 -32.03 73.41 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 120.813 1.642 . . . . 0.0 114.596 174.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.3 m -68.55 -50.86 48.71 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 167.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.07 -37.56 72.03 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 173.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.1 m -83.07 -50.43 8.52 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 117.921 -1.038 . . . . 0.0 112.333 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -81.75 104.45 12.15 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 124.421 2.057 . . . . 0.0 109.436 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.34 7.1 pt20 158.25 -59.83 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 109.392 -3.549 . . . . 0.0 107.51 -157.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -62.83 -48.42 79.15 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.703 0.801 . . . . 0.0 112.995 160.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 t -63.37 -42.77 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 CA-C-O 117.783 -1.104 . . . . 0.0 113.308 169.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -57.09 -39.47 75.1 Favored 'General case' 0 CA--C 1.565 1.543 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -50.64 -34.52 26.55 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 116.726 2.121 . . . . 0.0 116.726 167.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -91.82 -67.69 0.84 Allowed 'General case' 0 CA--C 1.562 1.429 0 C-N-CA 123.806 0.842 . . . . 0.0 110.226 174.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.8 mp -100.12 94.77 6.42 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -87.31 113.65 23.21 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 119.468 1.031 . . . . 0.0 110.839 -173.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 41.7 mm -116.93 95.21 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 104.001 -2.592 . . . . 0.0 104.001 170.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -78.96 -75.2 0.25 Allowed 'General case' 0 N--CA 1.489 1.492 0 CA-C-O 118.446 -0.788 . . . . 0.0 111.9 -171.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . 0.256 11.2 t . . . . . 0 N--CA 1.49 1.554 0 C-N-CA 124.613 1.165 . . . . 0.0 112.225 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 39.8 m . . . . . 0 CA--C 1.568 1.666 0 CA-C-O 117.482 -1.247 . . . . 0.0 108.385 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.11 127.22 9.79 Favored 'Trans proline' 0 CA--C 1.56 1.818 0 C-N-CA 122.85 2.367 . . . . 0.0 112.531 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.06 -76.41 0.12 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.606 0.763 . . . . 0.0 112.711 -175.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.292 4.4 p -148.64 -72.52 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 CA-C-N 118.483 0.583 . . . . 0.0 109.756 -171.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 m 51.99 52.71 13.88 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -171.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.7 m 54.58 66.65 1.18 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -169.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.1 -60.45 1.9 Allowed 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.26 0.624 . . . . 0.0 111.263 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -72.37 -36.49 68.74 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 169.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.91 -47.69 84.76 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 173.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -67.38 -60.26 2.72 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-N 118.918 0.781 . . . . 0.0 112.494 171.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.3 mt -96.64 82.18 3.29 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 123.72 0.808 . . . . 0.0 108.902 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.264 22.6 pttp -77.43 -61.06 2.11 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.1 -40.49 74.9 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 175.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.11 -46.26 81.75 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 117.64 -1.171 . . . . 0.0 113.936 170.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.54 -44.93 90.56 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 116.896 1.518 . . . . 0.0 116.896 171.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -57.03 -36.27 70.27 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 116.658 2.096 . . . . 0.0 116.658 165.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.6 m -63.11 -59.69 4.43 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 120.017 1.28 . . . . 0.0 112.947 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.297 1.9 pt? -75.85 2.0 13.52 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 118.773 2.879 . . . . 0.0 118.773 173.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.05 -56.23 4.85 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.883 0.873 . . . . 0.0 111.735 162.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -59.23 -43.49 92.37 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 172.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -58.41 -52.34 66.05 Favored 'General case' 0 CA--C 1.56 1.332 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 172.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.33 78.26 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 116.045 1.869 . . . . 0.0 116.045 173.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -54.55 -43.56 72.11 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 169.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.44 -36.74 84.73 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 115.559 1.688 . . . . 0.0 115.559 169.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.14 -37.93 84.61 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 169.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.7 mm -63.99 -52.05 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 CA-C-N 119.967 1.258 . . . . 0.0 111.656 169.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.2 p -81.54 58.7 3.8 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 172.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.309 5.5 ppt_? -167.15 -41.83 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 126.25 1.82 . . . . 0.0 109.537 173.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.7 mp -50.64 -59.93 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 C-N-CA 125.074 1.35 . . . . 0.0 113.077 157.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -70.87 1.8 5.08 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 119.462 3.134 . . . . 0.0 119.462 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -118.16 -21.33 8.25 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 175.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -140.57 131.01 25.28 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.918 1.287 . . . . 0.0 107.757 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.572 0.0 OUTLIER 69.69 -19.22 0.19 Allowed 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 120.025 3.343 . . . . 0.0 120.025 -174.184 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -78.97 -48.26 14.82 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 119.704 1.138 . . . . 0.0 109.538 143.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 m -108.48 82.6 1.64 Allowed 'General case' 0 CA--C 1.554 1.131 0 CA-C-O 123.759 1.742 . . . . 0.0 110.81 172.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.05 -20.88 11.34 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-N 113.396 -1.729 . . . . 0.0 112.607 138.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -66.65 -26.32 67.0 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 165.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.9 mmt -90.79 -11.97 37.87 Favored 'General case' 0 CA--C 1.566 1.572 0 N-CA-C 116.253 1.946 . . . . 0.0 116.253 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -136.04 -53.88 0.75 Allowed 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 120.953 1.706 . . . . 0.0 112.832 -175.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.45 -44.59 70.95 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -61.14 -42.24 98.18 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-O 116.793 -1.575 . . . . 0.0 114.673 164.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -59.47 -35.95 75.05 Favored 'General case' 0 N--CA 1.504 2.25 0 CA-C-N 121.876 2.126 . . . . 0.0 114.578 173.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.7 t -68.0 -45.8 73.04 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 173.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -66.59 -49.29 66.85 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 171.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.0 m -85.31 25.78 0.97 Allowed 'General case' 0 CA--C 1.58 2.116 0 C-N-CA 124.904 1.282 . . . . 0.0 114.244 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -62.97 -35.75 81.2 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 -168.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -68.47 -32.07 71.8 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 115.816 1.784 . . . . 0.0 115.816 172.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -73.8 -25.68 60.24 Favored 'General case' 0 CA--C 1.572 1.8 0 CA-C-N 120.218 1.372 . . . . 0.0 114.535 166.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.1 t -58.58 -46.79 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 CA-C-N 121.246 1.839 . . . . 0.0 112.377 158.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -62.9 -47.53 82.9 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -54.45 -34.65 61.88 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 167.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -89.06 -5.81 57.58 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 174.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.3 mt 53.79 64.52 1.81 Allowed 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.28 1.432 . . . . 0.0 113.843 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? 69.75 95.29 0.07 Allowed 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 124.538 1.135 . . . . 0.0 110.331 -168.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.273 0.0 OUTLIER -68.95 -50.44 53.96 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.524 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -177.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . 0.316 3.9 p-10 -141.38 -93.61 0.14 Allowed 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 119.306 0.957 . . . . 0.0 109.066 175.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.486 1.345 0 CA-C-N 119.677 1.126 . . . . 0.0 108.835 178.625 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.36 6.3 t . . . . . 0 CA--C 1.574 1.876 0 CA-C-O 114.909 -2.472 . . . . 0.0 117.49 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -62.55 146.38 95.44 Favored 'Trans proline' 0 CA--C 1.561 1.844 0 CA-C-N 125.959 3.164 . . . . 0.0 114.774 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -79.33 122.35 26.25 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.6 0.714 . . . . 0.0 111.259 -173.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.516 HG22 ' H ' ' A' ' 5' ' ' SER . 11.2 p -75.7 168.99 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.515 0 CA-C-O 122.999 1.381 . . . . 0.0 112.261 -177.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.516 ' H ' HG22 ' A' ' 4' ' ' VAL 0.367 4.9 t 69.36 -11.16 0.5 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 118.408 2.744 . . . . 0.0 118.408 -156.404 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.8 p -161.42 57.47 0.28 Allowed 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.817 0.847 . . . . 0.0 112.343 165.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -171.27 -68.89 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 171.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.12 -4.14 16.13 Favored 'General case' 0 CA--C 1.573 1.862 0 N-CA-C 116.445 2.017 . . . . 0.0 116.445 160.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -56.56 -47.72 78.86 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 170.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -63.46 -41.49 98.61 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 172.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.16 -50.74 67.0 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -65.01 -42.18 94.67 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -91.06 77.42 6.05 Favored 'General case' 0 CA--C 1.562 1.418 0 CA-C-O 121.874 0.845 . . . . 0.0 109.691 172.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -157.23 -53.18 0.08 Allowed 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 124.888 1.275 . . . . 0.0 108.829 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.37 -43.76 94.48 Favored Glycine 0 CA--C 1.552 2.396 0 CA-C-N 120.138 1.335 . . . . 0.0 115.207 159.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -59.83 -34.68 73.41 Favored 'General case' 0 CA--C 1.569 1.68 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 165.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.5 m -59.47 -54.51 45.75 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-N 120.381 1.446 . . . . 0.0 112.655 170.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . 0.316 2.9 pp -71.69 0.88 7.73 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 119.262 3.06 . . . . 0.0 119.262 171.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -80.04 -58.66 3.05 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.38 1.072 . . . . 0.0 110.789 166.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.18 -44.22 95.25 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 115.794 1.775 . . . . 0.0 115.794 170.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -56.81 -47.86 79.31 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 174.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.41 -45.9 88.87 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 173.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.46 -49.64 77.02 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.5 -28.99 70.22 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 169.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.0 tp -65.45 -37.88 88.18 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 169.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.4 mm -61.88 -49.47 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 CA-C-N 120.549 1.522 . . . . 0.0 112.27 172.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.4 p -57.57 -44.56 85.39 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 116.06 1.874 . . . . 0.0 116.06 172.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -55.28 -52.91 61.91 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 171.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . 0.256 1.7 mp -60.86 -55.77 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 C-N-CA 124.87 1.268 . . . . 0.0 113.186 176.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -64.41 -13.31 50.5 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 118.765 2.876 . . . . 0.0 118.765 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -81.73 -8.86 59.74 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 167.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.0 m -136.8 79.81 1.78 Allowed 'General case' 0 CA--C 1.56 1.362 0 CA-C-N 119.351 0.978 . . . . 0.0 108.973 162.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.544 ' H ' ' HA ' ' A' ' 35' ' ' SER . 29.3 mt-10 -140.75 60.73 1.52 Allowed 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 124.44 1.096 . . . . 0.0 108.438 169.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.487 0.2 OUTLIER 46.14 47.61 13.05 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 125.612 2.625 . . . . 0.0 114.02 -155.5 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.544 ' HA ' ' H ' ' A' ' 33' ' ' GLU 0.45 28.9 t -4.86 121.71 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 120.914 3.672 . . . . 0.0 120.914 -127.186 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.96 -31.59 23.48 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-N 112.816 -1.993 . . . . 0.0 115.003 -174.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -61.99 -41.28 97.87 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 155.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 6.9 ptt? -67.78 -12.98 61.72 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 116.559 2.059 . . . . 0.0 116.559 172.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -46.73 80.38 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 -167.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.74 -45.91 90.5 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 173.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -58.72 -36.27 74.01 Favored 'General case' 0 CA--C 1.569 1.675 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 165.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -61.71 -45.01 95.82 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 120.648 1.567 . . . . 0.0 113.348 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 98.5 p -61.82 -38.85 89.69 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 170.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.88 -50.69 65.57 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 172.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.6 m -84.0 -47.7 10.7 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 -172.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.6 -35.44 76.13 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 -173.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -48.75 -42.34 35.15 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 166.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -40.99 86.55 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 170.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.6 t -59.11 -49.16 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-N 119.172 0.897 . . . . 0.0 113.145 171.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -66.52 -48.82 68.54 Favored 'General case' 0 CA--C 1.561 1.391 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 -173.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -58.02 -28.98 64.96 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 117.152 2.279 . . . . 0.0 117.152 167.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -76.89 -42.13 40.98 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 173.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . 0.348 32.6 mt 89.4 -53.52 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.242 0 C-N-CA 124.887 1.275 . . . . 0.0 112.693 -174.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 75.17 84.66 0.1 Allowed 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 124.819 1.248 . . . . 0.0 109.059 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.312 66.5 mt 71.61 96.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 -164.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . 0.251 5.7 p-10 -65.35 -58.26 6.33 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -177.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 N--CA 1.485 1.293 0 CA-C-N 119.077 0.853 . . . . 0.0 109.434 176.379 . . . . . . . . 0 0 . 1 stop_ save_