data_1zzf_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 1zzf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.01 0.433 . . . . 1.97 110.155 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 p -151.68 120.61 3.42 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.562 -0.711 . . . . 2.2 110.333 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -79.4 145.82 19.05 Favored 'Trans proline' 0 N--CA 1.49 1.304 0 O-C-N 123.775 1.408 . . . . 0.95 110.29 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.6 pt -136.2 162.17 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.523 -0.736 . . . . 1.36 110.909 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 70.7 t -125.98 158.09 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.753 -0.592 . . . . 1.9 109.414 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.415 ' CD2' ' HE2' ' B' ' 79' ' ' MET . 30.4 m-70 -126.64 122.35 34.75 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.528 -0.732 . . . . 0.82 110.443 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mp -110.69 106.96 16.35 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.628 -0.67 . . . . 2.68 110.135 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -109.45 140.82 42.71 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.618 -0.676 . . . . 2.51 110.286 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.85 -150.94 17.69 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.506 -1.438 . . . . 0.8 109.506 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -79.89 131.31 35.83 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.572 -0.958 . . . . 1.86 110.18 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.18 -30.65 71.76 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.544 -0.722 . . . . 1.6 110.348 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -60.57 -44.91 95.66 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.542 -0.724 . . . . 3.02 110.033 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.0 p -74.38 -38.62 63.1 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.585 -0.697 . . . . 1.51 109.824 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.73 -43.08 98.33 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.674 -0.641 . . . . 1.41 110.173 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -40.73 93.58 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.561 -0.712 . . . . 3.34 110.114 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.0 t -69.94 -34.87 74.0 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.557 -0.714 . . . . 1.57 110.152 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.415 ' O ' ' CD2' ' A' ' 21' ' ' PHE . 83.8 mt -69.02 -38.65 79.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.622 -0.674 . . . . 1.98 110.013 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -59.99 -39.99 87.62 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.525 -0.734 . . . . 3.47 110.022 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -60.81 -39.97 90.95 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.58 -0.7 . . . . 2.03 109.963 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.0 ttm105 -69.1 -29.9 68.08 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.577 -0.702 . . . . 3.3 110.482 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 17' ' ' LEU . 23.7 m-85 -78.81 -11.13 59.98 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.41 -0.806 . . . . 1.06 111.17 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -55.04 -42.21 72.36 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.114 -0.991 . . . . 2.61 110.657 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HE3' ' CE1' ' A' ' 24' ' ' HIS . 49.2 pttt -65.01 -27.5 68.86 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.544 -0.722 . . . . 2.59 110.192 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.421 ' CE1' ' HE3' ' A' ' 23' ' ' LYS . 44.4 m170 -92.21 50.62 1.67 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.524 -0.735 . . . . 1.91 110.059 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.413 ' HA ' ' CE2' ' A' ' 28' ' ' TYR . 38.9 t -61.48 -22.79 65.39 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.608 -0.683 . . . . 2.13 110.676 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.9 p -92.73 23.82 3.91 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.382 -0.823 . . . . 2.13 111.051 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 mp -113.55 12.89 18.68 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.331 -0.856 . . . . 2.05 111.11 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.413 ' CE2' ' HA ' ' A' ' 25' ' ' CYS . 52.1 p90 -165.57 158.12 15.34 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.237 -0.915 . . . . 1.16 110.534 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.3 m -82.1 -40.79 21.41 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.623 -0.673 . . . . 1.56 110.347 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.19 161.9 12.59 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.524 -0.735 . . . . 1.59 110.464 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -129.05 132.0 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.559 -0.713 . . . . 2.15 110.021 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.405 ' OG ' ' CZ3' ' B' ' 37' ' ' TRP . 3.9 m -86.71 177.48 7.32 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.544 -0.723 . . . . 1.65 110.301 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.5 p -75.37 -161.63 0.16 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.535 -0.728 . . . . 1.55 110.008 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.6 m -107.41 131.95 53.71 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.465 -0.772 . . . . 1.74 111.061 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.423 ' CZ2' HG23 ' A' ' 48' ' ' ILE . 48.6 p-90 -136.53 162.4 33.2 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.666 -0.647 . . . . 1.18 109.809 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -143.62 162.68 35.3 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.591 -0.693 . . . . 3.94 110.829 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.405 ' CZ3' ' OG ' ' B' ' 32' ' ' SER . 44.1 m95 -66.99 150.9 48.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.682 -0.637 . . . . 1.17 110.275 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 t -132.84 151.2 52.06 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.556 -0.715 . . . . 2.43 110.165 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.63 -79.97 0.03 OUTLIER Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.697 -1.361 . . . . 3.49 109.697 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -148.21 179.13 7.99 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.571 -0.958 . . . . 7.51 110.471 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.9 t30 53.7 25.29 4.92 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.5 -0.75 . . . . 7.33 110.879 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t 51.52 91.39 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.379 -0.826 . . . . 4.02 110.77 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -111.92 104.12 12.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.51 -0.744 . . . . 6.6 110.32 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -140.95 14.29 2.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.522 -0.736 . . . . 6.75 110.966 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -74.04 -35.25 64.31 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.225 -0.922 . . . . 7.37 110.213 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.2 m -72.45 162.38 29.55 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.573 -0.704 . . . . 3.47 110.246 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.34 137.16 20.41 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.609 -0.682 . . . . 1.29 110.334 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.423 HG23 ' CZ2' ' A' ' 35' ' ' TRP . 80.6 mt -130.14 159.13 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.541 -0.725 . . . . 1.46 109.873 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -134.48 128.21 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.564 -0.71 . . . . 1.89 110.22 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.4 m -88.78 127.5 35.61 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.605 -0.685 . . . . 1.17 110.348 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.42 137.72 54.17 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.572 -0.705 . . . . 1.49 110.156 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 p -117.81 149.94 39.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.508 -0.745 . . . . 1.82 110.202 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.406 ' OH ' ' CD1' ' A' ' 62' ' ' PHE . 93.8 m-85 -120.09 152.06 38.13 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.565 -0.71 . . . . 1.07 110.521 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -80.08 -17.96 51.26 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.613 -0.679 . . . . 2.14 110.522 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.2 m -165.48 160.24 17.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.527 -0.733 . . . . 1.8 109.997 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -59.13 -26.83 65.06 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.562 -0.711 . . . . 1.97 110.013 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -65.96 -44.29 85.41 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.603 -0.686 . . . . 4.01 110.423 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -64.72 -40.02 94.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.438 -0.788 . . . . 1.63 110.043 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -63.57 -44.27 94.58 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.611 -0.681 . . . . 3.16 110.287 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -60.05 -44.4 94.72 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.502 -0.749 . . . . 2.17 110.314 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -65.87 -43.3 88.76 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.557 -0.715 . . . . 1.28 109.829 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CE1' HG22 ' A' ' 66' ' ' VAL . 54.3 t80 -58.26 -30.57 66.68 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.607 -0.683 . . . . 0.9 109.829 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mp -65.67 -40.05 92.0 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.674 -0.641 . . . . 2.13 109.808 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 m -104.96 17.53 23.98 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.64 -0.663 . . . . 1.5 110.936 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -113.68 -38.66 4.23 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.286 -0.884 . . . . 1.8 110.404 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.416 HG22 ' CE1' ' A' ' 62' ' ' PHE . 34.1 m -99.24 141.48 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.622 -0.674 . . . . 1.83 110.552 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -95.93 138.37 33.67 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.646 -0.659 . . . . 4.24 109.956 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.4 mt -125.07 133.68 25.04 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.535 -0.728 . . . . 2.52 110.137 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.73 176.35 8.34 Favored 'Trans proline' 0 N--CA 1.489 1.232 0 O-C-N 123.852 1.449 . . . . 1.44 110.084 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -79.49 -2.6 42.87 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.582 -0.699 . . . . 4.43 111.789 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 39.0 p -93.33 15.07 16.5 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.152 -0.967 . . . . 2.08 110.48 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 42.2 mm -130.25 140.03 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.283 -0.886 . . . . 1.95 110.518 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.9 m -100.38 126.61 46.76 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.64 -0.662 . . . . 1.75 109.64 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.8 t -103.05 123.6 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.512 -0.742 . . . . 2.45 110.511 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.5 m -128.73 142.14 51.1 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.682 -0.636 . . . . 1.94 109.751 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.9 t -130.01 154.72 47.12 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.485 -0.76 . . . . 1.62 110.475 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.77 -177.94 44.26 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.94 -1.264 . . . . 0.59 109.94 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.02 136.9 48.91 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.649 -0.912 . . . . 3.06 109.767 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.412 ' HE2' ' CD2' ' B' ' 6' ' ' HIS . 35.4 mmm -114.3 143.78 44.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.523 -0.736 . . . . 2.05 110.682 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.7 m -93.3 114.5 26.96 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.677 -0.639 . . . . 1.9 109.819 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.441 HG21 HD11 ' A' ' 81' ' ' ILE . 49.6 mm . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 117.991 -1.004 . . . . 2.89 110.185 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.056 0.455 . . . . 1.97 110.148 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 26.7 p -151.65 120.57 3.42 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.549 -0.719 . . . . 2.18 110.33 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -79.36 145.87 19.16 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 O-C-N 123.825 1.434 . . . . 0.95 110.296 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 44.6 pt -136.21 162.09 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.576 -0.703 . . . . 1.37 110.902 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 70.9 t -125.89 158.14 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.697 -0.627 . . . . 1.91 109.448 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.412 ' CD2' ' HE2' ' A' ' 79' ' ' MET . 30.4 m-70 -126.72 122.31 34.5 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.483 -0.761 . . . . 0.83 110.445 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mp -110.68 106.92 16.3 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.58 -0.7 . . . . 2.67 110.116 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -109.44 140.87 42.64 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.589 -0.695 . . . . 2.5 110.253 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.8 -150.98 17.8 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.519 -1.432 . . . . 0.85 109.519 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -79.89 131.33 35.83 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.546 -0.973 . . . . 1.86 110.142 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.19 -30.59 71.71 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.568 -0.708 . . . . 1.6 110.358 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -60.65 -44.84 95.93 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.51 -0.744 . . . . 3.01 109.999 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 70.9 p -74.49 -38.54 62.85 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.556 -0.715 . . . . 1.5 109.756 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.81 -43.1 98.64 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.647 -0.658 . . . . 1.41 110.105 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -40.68 93.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.616 -0.677 . . . . 3.31 110.141 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 34.0 t -70.04 -34.83 73.75 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.66 -0.65 . . . . 1.55 110.124 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' B' ' 21' ' ' PHE . 83.8 mt -69.09 -38.54 79.03 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.583 -0.698 . . . . 1.97 110.02 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.517 -0.739 . . . . 3.47 110.022 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -60.76 -40.02 90.94 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.576 -0.702 . . . . 1.97 109.956 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 25.0 ttm105 -69.13 -29.86 67.99 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.629 -0.669 . . . . 3.31 110.437 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' B' ' 17' ' ' LEU . 23.7 m-85 -78.78 -11.21 59.98 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.439 -0.788 . . . . 1.06 111.196 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -54.96 -42.34 72.24 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.114 -0.991 . . . . 2.58 110.668 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.419 ' HE3' ' CE1' ' B' ' 24' ' ' HIS . 49.1 pttt -64.94 -27.45 68.85 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.597 -0.689 . . . . 2.59 110.242 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' HIS . . . . . 0.419 ' CE1' ' HE3' ' B' ' 23' ' ' LYS . 44.3 m170 -92.24 50.64 1.66 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.531 -0.731 . . . . 1.9 110.04 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.408 ' HA ' ' CE2' ' B' ' 28' ' ' TYR . 38.9 t -61.5 -22.8 65.43 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.58 -0.7 . . . . 2.11 110.659 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 28.8 p -92.7 23.84 3.88 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.411 -0.806 . . . . 2.15 111.117 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 mp -113.5 12.68 18.69 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.291 -0.881 . . . . 2.07 111.119 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . 0.408 ' CE2' ' HA ' ' B' ' 25' ' ' CYS . 52.1 p90 -165.49 158.16 15.57 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.181 -0.95 . . . . 1.14 110.516 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 90.5 m -82.11 -40.82 21.35 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.542 -0.724 . . . . 1.55 110.313 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.15 162.01 12.75 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.521 -0.737 . . . . 1.59 110.41 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -129.15 132.0 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.542 -0.724 . . . . 2.14 109.987 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' SER . . . . . 0.405 ' OG ' ' CZ3' ' A' ' 37' ' ' TRP . 3.9 m -86.71 177.44 7.33 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.54 -0.725 . . . . 1.63 110.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 24.6 p -75.37 -161.69 0.16 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.54 -0.725 . . . . 1.56 109.967 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 57.8 m -107.37 131.98 53.65 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.435 -0.791 . . . . 1.71 111.098 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.423 ' CZ2' HG23 ' B' ' 48' ' ' ILE . 48.6 p-90 -136.56 162.3 33.49 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.582 -0.699 . . . . 1.18 109.788 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' HIS . . . . . 0.402 ' CE1' ' HA ' ' B' ' 44' ' ' HIS . 24.5 p80 -143.51 162.65 35.27 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.594 -0.691 . . . . 3.96 110.853 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' TRP . . . . . 0.405 ' CZ3' ' OG ' ' A' ' 32' ' ' SER . 44.2 m95 -66.94 150.97 48.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.705 -0.622 . . . . 1.18 110.287 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 7.0 t -132.89 151.21 52.07 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.582 -0.699 . . . . 2.44 110.171 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.61 -80.0 0.03 OUTLIER Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.707 -1.357 . . . . 3.43 109.707 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -148.25 179.16 7.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.597 -0.943 . . . . 7.47 110.421 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 41.0 t30 53.65 25.36 4.9 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.479 -0.763 . . . . 7.29 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t 51.49 91.38 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.336 -0.853 . . . . 3.98 110.752 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -111.87 104.09 12.37 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.547 -0.721 . . . . 6.59 110.283 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.402 ' HA ' ' CE1' ' B' ' 36' ' ' HIS . 7.1 p80 -140.87 14.14 2.28 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.529 -0.732 . . . . 6.73 110.94 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -73.98 -35.25 64.44 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.249 -0.907 . . . . 7.39 110.236 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 61.8 m -72.44 162.37 29.57 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.553 -0.717 . . . . 3.47 110.246 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.33 137.16 20.41 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.542 -0.724 . . . . 1.3 110.291 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.423 HG23 ' CZ2' ' B' ' 35' ' ' TRP . 80.9 mt -130.18 159.12 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.543 -0.723 . . . . 1.47 109.859 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -134.47 128.25 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.499 -0.75 . . . . 1.89 110.21 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 39.7 m -88.8 127.41 35.61 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.604 -0.685 . . . . 1.17 110.374 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.34 137.78 54.08 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.55 -0.719 . . . . 1.51 110.158 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 64.3 p -117.91 149.98 39.98 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.538 -0.727 . . . . 1.8 110.155 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . 0.406 ' OH ' ' CD1' ' B' ' 62' ' ' PHE . 93.7 m-85 -120.12 152.13 38.06 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.554 -0.716 . . . . 1.07 110.492 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -80.1 -17.91 51.34 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.668 -0.645 . . . . 2.12 110.578 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 6.2 m -165.57 160.29 17.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.485 -0.759 . . . . 1.81 109.995 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -59.16 -26.83 65.11 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.517 -0.739 . . . . 1.95 110.009 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -65.95 -44.35 85.3 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.573 -0.704 . . . . 4.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -64.69 -40.0 94.64 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.403 -0.81 . . . . 1.62 110.087 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -63.58 -44.26 94.59 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.628 -0.67 . . . . 3.16 110.307 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -60.0 -44.46 94.53 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.516 -0.74 . . . . 2.17 110.289 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -65.86 -43.29 88.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.567 -0.708 . . . . 1.28 109.82 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.416 ' CE1' HG22 ' B' ' 66' ' ' VAL . 54.3 t80 -58.25 -30.53 66.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.596 -0.69 . . . . 0.9 109.866 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mp -65.66 -40.08 92.04 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.698 -0.626 . . . . 2.13 109.808 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 36.5 m -105.0 17.53 23.97 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.624 -0.673 . . . . 1.52 110.902 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -113.69 -38.7 4.21 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.267 -0.895 . . . . 1.83 110.374 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.416 HG22 ' CE1' ' B' ' 62' ' ' PHE . 34.2 m -99.31 141.48 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.557 -0.714 . . . . 1.82 110.53 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -95.88 138.34 33.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.622 -0.674 . . . . 4.24 109.931 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 65.2 mt -125.05 133.62 24.99 Favored Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 121.611 -0.681 . . . . 2.53 110.148 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.71 176.46 8.16 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 O-C-N 123.876 1.461 . . . . 1.44 110.107 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -79.51 -2.68 43.29 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.524 -0.735 . . . . 4.43 111.806 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 39.1 p -93.25 15.02 16.44 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.126 -0.984 . . . . 2.1 110.489 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 42.2 mm -130.26 139.94 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.35 -0.844 . . . . 1.95 110.521 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 77.4 m -100.27 126.58 46.6 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.573 -0.704 . . . . 1.75 109.656 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 58.4 t -103.08 123.61 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.502 -0.749 . . . . 2.45 110.53 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 12.0 m -128.7 142.12 51.12 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.622 -0.674 . . . . 1.96 109.749 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 7.9 t -130.01 154.65 47.19 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.462 -0.774 . . . . 1.6 110.437 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.71 -178.0 44.26 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.939 -1.264 . . . . 0.58 109.939 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.8 136.86 49.09 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.703 -0.88 . . . . 3.05 109.762 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.415 ' HE2' ' CD2' ' A' ' 6' ' ' HIS . 34.9 mmm -114.55 143.05 45.61 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.486 -0.759 . . . . 2.06 110.653 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 54.3 m -92.17 117.1 29.54 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.646 -0.659 . . . . 1.89 109.668 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.441 HG21 HD11 ' B' ' 81' ' ' ILE . 49.7 mm . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 118.045 -0.978 . . . . 2.87 110.138 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.436 ' C ' HG23 ' A' ' 2' ' ' THR . 98.9 mtp . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.01 0.433 . . . . 1.57 110.155 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.436 HG23 ' C ' ' A' ' 1' ' ' MET . 26.5 p -151.68 120.61 3.42 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.562 -0.711 . . . . 1.71 110.333 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -79.4 145.82 19.05 Favored 'Trans proline' 0 N--CA 1.49 1.304 0 O-C-N 123.775 1.408 . . . . 0.85 110.29 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.537 HG22 HG22 ' A' ' 52' ' ' THR . 44.6 pt -136.2 162.17 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.523 -0.736 . . . . 0.78 110.909 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 75' ' ' SER . 70.7 t -125.98 158.09 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.753 -0.592 . . . . 1.25 109.414 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -126.64 122.35 34.75 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.528 -0.732 . . . . 0.72 110.443 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mp -110.69 106.96 16.35 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.628 -0.67 . . . . 2.02 110.135 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -109.45 140.82 42.71 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.618 -0.676 . . . . 2.05 110.286 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.478 ' HA3' HD13 ' A' ' 72' ' ' ILE . . . 167.85 -150.94 17.69 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.506 -1.438 . . . . 0.75 109.506 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -79.89 131.31 35.83 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.572 -0.958 . . . . 1.86 110.18 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.826 ' HB2' ' HB2' ' A' ' 47' ' ' ALA . . . -63.18 -30.65 71.76 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.544 -0.722 . . . . 1.03 110.348 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -60.57 -44.91 95.66 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.542 -0.724 . . . . 2.45 110.033 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.0 p -74.38 -38.62 63.1 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.585 -0.697 . . . . 1.08 109.824 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.73 -43.08 98.33 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.674 -0.641 . . . . 0.86 110.173 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -40.73 93.58 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.561 -0.712 . . . . 3.0 110.114 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.0 t -69.94 -34.87 74.0 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.557 -0.714 . . . . 1.45 110.152 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.415 ' O ' ' CD2' ' A' ' 21' ' ' PHE . 83.8 mt -69.02 -38.65 79.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.622 -0.674 . . . . 1.41 110.013 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.422 ' NH1' HG11 ' A' ' 31' ' ' VAL . 14.3 mmm180 -59.99 -39.99 87.62 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.525 -0.734 . . . . 2.86 110.022 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -60.81 -39.97 90.95 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.58 -0.7 . . . . 1.99 109.963 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.0 ttm105 -69.1 -29.9 68.08 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.577 -0.702 . . . . 2.76 110.482 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 17' ' ' LEU . 23.7 m-85 -78.81 -11.13 59.98 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.41 -0.806 . . . . 0.9 111.17 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -55.04 -42.21 72.36 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.114 -0.991 . . . . 2.17 110.657 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -65.01 -27.5 68.86 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.544 -0.722 . . . . 2.19 110.192 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.543 ' HB3' HD13 ' A' ' 27' ' ' LEU . 8.2 m-70 -92.21 50.62 1.67 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.524 -0.735 . . . . 1.39 110.059 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.462 ' HA ' ' CE2' ' A' ' 28' ' ' TYR . 38.9 t -61.48 -22.79 65.39 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.608 -0.683 . . . . 1.67 110.676 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.407 ' C ' HD12 ' A' ' 27' ' ' LEU . 28.9 p -92.73 23.82 3.91 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.382 -0.823 . . . . 1.74 111.051 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' A' ' 24' ' ' HIS . 6.3 mp -113.55 12.89 18.68 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.331 -0.856 . . . . 1.5 111.11 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.587 ' HB2' HD11 ' A' ' 51' ' ' LEU . 52.1 p90 -165.57 158.12 15.34 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.237 -0.915 . . . . 0.66 110.534 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.3 m -82.1 -40.79 21.41 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.623 -0.673 . . . . 1.01 110.347 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.19 161.9 12.59 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.524 -0.735 . . . . 1.03 110.464 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.708 HG22 HD21 ' A' ' 51' ' ' LEU . 57.7 t -129.05 132.0 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.559 -0.713 . . . . 1.48 110.021 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 m -86.71 177.48 7.32 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.544 -0.723 . . . . 1.24 110.301 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.5 p -75.37 -161.63 0.16 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.535 -0.728 . . . . 1.21 110.008 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.429 ' CG2' ' HB1' ' A' ' 47' ' ' ALA . 57.6 m -107.41 131.95 53.71 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.465 -0.772 . . . . 1.19 111.061 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.589 ' CH2' HG21 ' A' ' 48' ' ' ILE . 48.6 p-90 -136.53 162.4 33.2 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.666 -0.647 . . . . 0.97 109.809 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -143.62 162.68 35.3 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.591 -0.693 . . . . 3.27 110.829 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -66.99 150.9 48.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.682 -0.637 . . . . 1.17 110.275 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.616 HG22 ' O ' ' B' ' 31' ' ' VAL . 7.0 t -132.84 151.2 52.06 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.556 -0.715 . . . . 2.0 110.165 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.63 -79.97 0.03 OUTLIER Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.697 -1.361 . . . . 3.49 109.697 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -148.21 179.13 7.99 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.571 -0.958 . . . . 6.92 110.471 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.9 t30 53.7 25.29 4.92 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.5 -0.75 . . . . 6.85 110.879 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t 51.52 91.39 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.379 -0.826 . . . . 3.83 110.77 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -111.92 104.12 12.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.51 -0.744 . . . . 6.26 110.32 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -140.95 14.29 2.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.522 -0.736 . . . . 5.92 110.966 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -74.04 -35.25 64.31 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.225 -0.922 . . . . 7.09 110.213 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.2 m -72.45 162.38 29.55 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.573 -0.704 . . . . 3.07 110.246 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.826 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . . . -149.34 137.16 20.41 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.609 -0.682 . . . . 0.71 110.334 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.589 HG21 ' CH2' ' A' ' 35' ' ' TRP . 80.6 mt -130.14 159.13 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.541 -0.725 . . . . 0.83 109.873 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 49' ' ' VAL . 8.6 p -134.48 128.21 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.564 -0.71 . . . . 1.34 110.22 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.4 m -88.78 127.5 35.61 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.605 -0.685 . . . . 0.59 110.348 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.708 HD21 HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -120.42 137.72 54.17 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.572 -0.705 . . . . 0.85 110.156 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.537 HG22 HG22 ' A' ' 4' ' ' ILE . 65.3 p -117.81 149.94 39.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.508 -0.745 . . . . 1.09 110.202 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.401 ' OH ' ' CD1' ' A' ' 62' ' ' PHE . 93.8 m-85 -120.09 152.06 38.13 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.565 -0.71 . . . . 0.75 110.521 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -80.08 -17.96 51.26 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.613 -0.679 . . . . 2.14 110.522 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.2 m -165.48 160.24 17.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.527 -0.733 . . . . 1.57 109.997 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -59.13 -26.83 65.06 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.562 -0.711 . . . . 1.97 110.013 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -65.96 -44.29 85.41 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.603 -0.686 . . . . 3.34 110.423 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -64.72 -40.02 94.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.438 -0.788 . . . . 1.63 110.043 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -63.57 -44.27 94.58 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.611 -0.681 . . . . 2.65 110.287 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -60.05 -44.4 94.72 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.502 -0.749 . . . . 2.17 110.314 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -65.87 -43.3 88.76 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.557 -0.715 . . . . 1.28 109.829 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.879 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.3 t80 -58.26 -30.57 66.68 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.607 -0.683 . . . . 0.81 109.829 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mp -65.67 -40.05 92.0 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.674 -0.641 . . . . 1.65 109.808 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 m -104.96 17.53 23.98 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.64 -0.663 . . . . 1.24 110.936 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -113.68 -38.66 4.23 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.286 -0.884 . . . . 1.8 110.404 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.879 HG22 ' O ' ' A' ' 62' ' ' PHE . 34.1 m -99.24 141.48 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.622 -0.674 . . . . 1.3 110.552 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -95.93 138.37 33.67 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.646 -0.659 . . . . 3.84 109.956 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.61 HD13 ' CG2' ' A' ' 74' ' ' VAL . 65.4 mt -125.07 133.68 25.04 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.535 -0.728 . . . . 1.97 110.137 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.73 176.35 8.34 Favored 'Trans proline' 0 N--CA 1.489 1.232 0 O-C-N 123.852 1.449 . . . . 1.44 110.084 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -79.49 -2.6 42.87 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.582 -0.699 . . . . 4.1 111.789 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.67 ' O ' HD13 ' A' ' 72' ' ' ILE . 39.0 p -93.33 15.07 16.5 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.152 -0.967 . . . . 1.73 110.48 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 71' ' ' THR . 42.2 mm -130.25 140.03 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.283 -0.886 . . . . 1.34 110.518 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.9 m -100.38 126.61 46.76 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.64 -0.662 . . . . 1.15 109.64 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.61 ' CG2' HD13 ' A' ' 68' ' ' ILE . 58.8 t -103.05 123.6 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.512 -0.742 . . . . 1.94 110.511 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.439 ' O ' HG13 ' A' ' 5' ' ' VAL . 12.5 m -128.73 142.14 51.1 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.682 -0.636 . . . . 1.67 109.751 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.9 t -130.01 154.72 47.12 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.485 -0.76 . . . . 1.05 110.475 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.77 -177.94 44.26 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.94 -1.264 . . . . 0.52 109.94 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.02 136.9 48.91 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.649 -0.912 . . . . 2.3 109.767 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 35.4 mmm -114.3 143.78 44.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.523 -0.736 . . . . 1.61 110.682 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.7 m -93.3 114.5 26.96 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.677 -0.639 . . . . 1.52 109.819 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.6 mm . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 117.991 -1.004 . . . . 2.31 110.185 -179.618 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.437 ' C ' HG23 ' B' ' 2' ' ' THR . 98.9 mtp . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.056 0.455 . . . . 1.59 110.148 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.437 HG23 ' C ' ' B' ' 1' ' ' MET . 26.7 p -151.65 120.57 3.42 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.549 -0.719 . . . . 1.72 110.33 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -79.36 145.87 19.16 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 O-C-N 123.825 1.434 . . . . 0.84 110.296 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.54 HG22 HG22 ' B' ' 52' ' ' THR . 44.6 pt -136.21 162.09 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.576 -0.703 . . . . 0.78 110.902 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.44 HG13 ' O ' ' B' ' 75' ' ' SER . 70.9 t -125.89 158.14 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.697 -0.627 . . . . 1.26 109.448 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -126.72 122.31 34.5 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.483 -0.761 . . . . 0.72 110.445 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mp -110.68 106.92 16.3 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.58 -0.7 . . . . 2.01 110.116 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -109.44 140.87 42.64 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.589 -0.695 . . . . 2.04 110.253 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.478 ' HA3' HD13 ' B' ' 72' ' ' ILE . . . 167.8 -150.98 17.8 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.519 -1.432 . . . . 0.85 109.519 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -79.89 131.33 35.83 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.546 -0.973 . . . . 1.86 110.142 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.826 ' HB2' ' HB2' ' B' ' 47' ' ' ALA . . . -63.19 -30.59 71.71 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.568 -0.708 . . . . 1.03 110.358 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -60.65 -44.84 95.93 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.51 -0.744 . . . . 2.44 109.999 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 70.9 p -74.49 -38.54 62.85 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.556 -0.715 . . . . 1.07 109.756 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.81 -43.1 98.64 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.647 -0.658 . . . . 0.87 110.105 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -40.68 93.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.616 -0.677 . . . . 2.97 110.141 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 34.0 t -70.04 -34.83 73.75 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.66 -0.65 . . . . 1.42 110.124 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' B' ' 21' ' ' PHE . 83.8 mt -69.09 -38.54 79.03 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.583 -0.698 . . . . 1.4 110.02 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.423 ' NH1' HG11 ' B' ' 31' ' ' VAL . 14.3 mmm180 -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.517 -0.739 . . . . 2.85 110.022 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -60.76 -40.02 90.94 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.576 -0.702 . . . . 1.93 109.956 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 25.0 ttm105 -69.13 -29.86 67.99 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.629 -0.669 . . . . 2.77 110.437 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' B' ' 17' ' ' LEU . 23.7 m-85 -78.78 -11.21 59.98 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.439 -0.788 . . . . 0.89 111.196 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -54.96 -42.34 72.24 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.114 -0.991 . . . . 2.14 110.668 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -64.94 -27.45 68.85 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.597 -0.689 . . . . 2.17 110.242 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' HIS . . . . . 0.543 ' HB3' HD13 ' B' ' 27' ' ' LEU . 8.1 m-70 -92.24 50.64 1.66 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.531 -0.731 . . . . 1.39 110.04 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.458 ' HA ' ' CE2' ' B' ' 28' ' ' TYR . 38.9 t -61.5 -22.8 65.43 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.58 -0.7 . . . . 1.65 110.659 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.406 ' C ' HD12 ' B' ' 27' ' ' LEU . 28.8 p -92.7 23.84 3.88 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.411 -0.806 . . . . 1.76 111.117 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' B' ' 24' ' ' HIS . 6.4 mp -113.5 12.68 18.69 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.291 -0.881 . . . . 1.52 111.119 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' TYR . . . . . 0.591 ' HB2' HD11 ' B' ' 51' ' ' LEU . 52.1 p90 -165.49 158.16 15.57 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.181 -0.95 . . . . 0.65 110.516 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 90.5 m -82.11 -40.82 21.35 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.542 -0.724 . . . . 1.02 110.313 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.15 162.01 12.75 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.521 -0.737 . . . . 1.03 110.41 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.712 HG22 HD21 ' B' ' 51' ' ' LEU . 58.0 t -129.15 132.0 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.542 -0.724 . . . . 1.47 109.987 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 3.9 m -86.71 177.44 7.33 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.54 -0.725 . . . . 1.22 110.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 24.6 p -75.37 -161.69 0.16 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.54 -0.725 . . . . 1.2 109.967 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.431 ' CG2' ' HB1' ' B' ' 47' ' ' ALA . 57.8 m -107.37 131.98 53.65 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.435 -0.791 . . . . 1.21 111.098 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.587 ' CH2' HG21 ' B' ' 48' ' ' ILE . 48.6 p-90 -136.56 162.3 33.49 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.582 -0.699 . . . . 0.97 109.788 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -143.51 162.65 35.27 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.594 -0.691 . . . . 3.27 110.853 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -66.94 150.97 48.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.705 -0.622 . . . . 1.18 110.287 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 31' ' ' VAL . 7.0 t -132.89 151.21 52.07 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.582 -0.699 . . . . 1.99 110.171 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.61 -80.0 0.03 OUTLIER Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.707 -1.357 . . . . 3.43 109.707 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -148.25 179.16 7.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.597 -0.943 . . . . 6.86 110.421 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 41.0 t30 53.65 25.36 4.9 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.479 -0.763 . . . . 6.81 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t 51.49 91.38 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.336 -0.853 . . . . 3.79 110.752 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -111.87 104.09 12.37 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.547 -0.721 . . . . 6.25 110.283 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -140.87 14.14 2.28 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.529 -0.732 . . . . 5.91 110.94 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -73.98 -35.25 64.44 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.249 -0.907 . . . . 7.11 110.236 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 61.8 m -72.44 162.37 29.57 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.553 -0.717 . . . . 3.08 110.246 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.826 ' HB2' ' HB2' ' B' ' 11' ' ' ALA . . . -149.33 137.16 20.41 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.542 -0.724 . . . . 0.71 110.291 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.587 HG21 ' CH2' ' B' ' 35' ' ' TRP . 80.9 mt -130.18 159.12 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.543 -0.723 . . . . 0.84 109.859 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.433 ' O ' HG13 ' B' ' 49' ' ' VAL . 8.7 p -134.47 128.25 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.499 -0.75 . . . . 1.34 110.21 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 39.7 m -88.8 127.41 35.61 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.604 -0.685 . . . . 0.6 110.374 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.712 HD21 HG22 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -120.34 137.78 54.08 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.55 -0.719 . . . . 0.86 110.158 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 52' ' ' THR . . . . . 0.54 HG22 HG22 ' B' ' 4' ' ' ILE . 64.3 p -117.91 149.98 39.98 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.538 -0.727 . . . . 1.08 110.155 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' TYR . . . . . 0.402 ' OH ' ' CD1' ' B' ' 62' ' ' PHE . 93.7 m-85 -120.12 152.13 38.06 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.554 -0.716 . . . . 0.75 110.492 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -80.1 -17.91 51.34 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.668 -0.645 . . . . 2.12 110.578 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 6.2 m -165.57 160.29 17.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.485 -0.759 . . . . 1.57 109.995 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -59.16 -26.83 65.11 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.517 -0.739 . . . . 1.95 110.009 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -65.95 -44.35 85.3 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.573 -0.704 . . . . 3.33 110.4 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -64.69 -40.0 94.64 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.403 -0.81 . . . . 1.62 110.087 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -63.58 -44.26 94.59 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.628 -0.67 . . . . 2.65 110.307 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -60.0 -44.46 94.53 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.516 -0.74 . . . . 2.17 110.289 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -65.86 -43.29 88.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.567 -0.708 . . . . 1.28 109.82 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.879 ' O ' HG22 ' B' ' 66' ' ' VAL . 54.3 t80 -58.25 -30.53 66.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.596 -0.69 . . . . 0.81 109.866 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mp -65.66 -40.08 92.04 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.698 -0.626 . . . . 1.65 109.808 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 36.5 m -105.0 17.53 23.97 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.624 -0.673 . . . . 1.26 110.902 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -113.69 -38.7 4.21 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.267 -0.895 . . . . 1.83 110.374 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.879 HG22 ' O ' ' B' ' 62' ' ' PHE . 34.2 m -99.31 141.48 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.557 -0.714 . . . . 1.3 110.53 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -95.88 138.34 33.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.622 -0.674 . . . . 3.84 109.931 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.609 HD13 ' CG2' ' B' ' 74' ' ' VAL . 65.2 mt -125.05 133.62 24.99 Favored Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 121.611 -0.681 . . . . 1.98 110.148 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.71 176.46 8.16 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 O-C-N 123.876 1.461 . . . . 1.44 110.107 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -79.51 -2.68 43.29 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.524 -0.735 . . . . 4.1 111.806 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.669 ' O ' HD13 ' B' ' 72' ' ' ILE . 39.1 p -93.25 15.02 16.44 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.126 -0.984 . . . . 1.74 110.489 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.669 HD13 ' O ' ' B' ' 71' ' ' THR . 42.2 mm -130.26 139.94 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.35 -0.844 . . . . 1.35 110.521 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 77.4 m -100.27 126.58 46.6 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.573 -0.704 . . . . 1.15 109.656 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.609 ' CG2' HD13 ' B' ' 68' ' ' ILE . 58.4 t -103.08 123.61 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.502 -0.749 . . . . 1.93 110.53 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' SER . . . . . 0.44 ' O ' HG13 ' B' ' 5' ' ' VAL . 12.0 m -128.7 142.12 51.12 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.622 -0.674 . . . . 1.68 109.749 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 7.9 t -130.01 154.65 47.19 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.462 -0.774 . . . . 1.04 110.437 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.71 -178.0 44.26 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.939 -1.264 . . . . 0.5 109.939 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.8 136.86 49.09 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.703 -0.88 . . . . 2.29 109.762 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 34.9 mmm -114.55 143.05 45.61 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.486 -0.759 . . . . 1.64 110.653 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' SER . . . . . 0.407 ' O ' HD13 ' B' ' 81' ' ' ILE . 54.3 m -92.17 117.1 29.54 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.646 -0.659 . . . . 1.5 109.668 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.407 HD13 ' O ' ' B' ' 80' ' ' SER . 49.7 mm . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 118.045 -0.978 . . . . 2.29 110.138 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.436 ' C ' HG23 ' A' ' 2' ' ' THR . 98.9 mtp . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.01 0.433 . . . . 1.5700000000000001 110.155 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.436 HG23 ' C ' ' A' ' 1' ' ' MET . 26.5 p -151.68 120.61 3.42 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.562 -0.711 . . . . 1.71 110.333 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -79.4 145.82 19.05 Favored 'Trans proline' 0 N--CA 1.49 1.304 0 O-C-N 123.775 1.408 . . . . 0.84999999999999998 110.29 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.537 HG22 HG22 ' A' ' 52' ' ' THR . 44.6 pt -136.2 162.17 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.523 -0.736 . . . . 0.78000000000000003 110.909 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 75' ' ' SER . 70.7 t -125.98 158.09 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.753 -0.592 . . . . 1.25 109.414 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -126.64 122.35 34.75 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.528 -0.732 . . . . 0.71999999999999997 110.443 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mp -110.69 106.96 16.35 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.628 -0.67 . . . . 2.02 110.135 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -109.45 140.82 42.71 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.618 -0.676 . . . . 2.0499999999999998 110.286 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.478 ' HA3' HD13 ' A' ' 72' ' ' ILE . . . 167.85 -150.94 17.69 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.506 -1.438 . . . . 0.75 109.506 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -79.89 131.31 35.83 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.572 -0.958 . . . . 1.8600000000000001 110.18 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.826 ' HB2' ' HB2' ' A' ' 47' ' ' ALA . . . -63.18 -30.65 71.76 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.544 -0.722 . . . . 1.03 110.348 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -60.57 -44.91 95.66 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.542 -0.724 . . . . 2.4500000000000002 110.033 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.0 p -74.38 -38.62 63.1 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.585 -0.697 . . . . 1.0800000000000001 109.824 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.73 -43.08 98.33 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.674 -0.641 . . . . 0.85999999999999999 110.173 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -40.73 93.58 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.561 -0.712 . . . . 3.0 110.114 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.0 t -69.94 -34.87 74.0 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.557 -0.714 . . . . 1.45 110.152 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.415 ' O ' ' CD2' ' A' ' 21' ' ' PHE . 83.8 mt -69.02 -38.65 79.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.622 -0.674 . . . . 1.4099999999999999 110.013 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.422 ' NH1' HG11 ' A' ' 31' ' ' VAL . 14.3 mmm180 -59.99 -39.99 87.62 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.525 -0.734 . . . . 2.8599999999999999 110.022 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -60.81 -39.97 90.95 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.58 -0.7 . . . . 1.99 109.963 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.0 ttm105 -69.1 -29.9 68.08 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.577 -0.702 . . . . 2.7599999999999998 110.482 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 17' ' ' LEU . 23.7 m-85 -78.81 -11.13 59.98 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.41 -0.806 . . . . 0.90000000000000002 111.17 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -55.04 -42.21 72.36 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.114 -0.991 . . . . 2.1699999999999999 110.657 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HE3' ' CE1' ' A' ' 24' ' ' HIS . 49.2 pttt -65.01 -27.5 68.86 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.544 -0.722 . . . . 2.1899999999999999 110.192 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.543 ' HB3' HD13 ' A' ' 27' ' ' LEU . 44.4 m170 -92.21 50.62 1.67 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.524 -0.735 . . . . 1.3899999999999999 110.059 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.462 ' HA ' ' CE2' ' A' ' 28' ' ' TYR . 38.9 t -61.48 -22.79 65.39 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.608 -0.683 . . . . 1.6699999999999999 110.676 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.407 ' C ' HD12 ' A' ' 27' ' ' LEU . 28.9 p -92.73 23.82 3.91 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.382 -0.823 . . . . 1.74 111.051 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' A' ' 24' ' ' HIS . 6.3 mp -113.55 12.89 18.68 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.331 -0.856 . . . . 1.5 111.11 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.587 ' HB2' HD11 ' A' ' 51' ' ' LEU . 52.1 p90 -165.57 158.12 15.34 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.237 -0.915 . . . . 0.66000000000000003 110.534 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.3 m -82.1 -40.79 21.41 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.623 -0.673 . . . . 1.01 110.347 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.19 161.9 12.59 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.524 -0.735 . . . . 1.03 110.464 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.708 HG22 HD21 ' A' ' 51' ' ' LEU . 57.7 t -129.05 132.0 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.559 -0.713 . . . . 1.48 110.021 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 m -86.71 177.48 7.32 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.544 -0.723 . . . . 1.24 110.301 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.5 p -75.37 -161.63 0.16 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.535 -0.728 . . . . 1.21 110.008 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.429 ' CG2' ' HB1' ' A' ' 47' ' ' ALA . 57.6 m -107.41 131.95 53.71 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.465 -0.772 . . . . 1.1899999999999999 111.061 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.589 ' CH2' HG21 ' A' ' 48' ' ' ILE . 48.6 p-90 -136.53 162.4 33.2 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.666 -0.647 . . . . 0.96999999999999997 109.809 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -143.62 162.68 35.3 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.591 -0.693 . . . . 3.27 110.829 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.1 m95 -66.99 150.9 48.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.682 -0.637 . . . . 1.1699999999999999 110.275 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.616 HG22 ' O ' ' B' ' 31' ' ' VAL . 7.0 t -132.84 151.2 52.06 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.556 -0.715 . . . . 2.0 110.165 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.63 -79.97 0.03 OUTLIER Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.697 -1.361 . . . . 3.4900000000000002 109.697 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -148.21 179.13 7.99 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.571 -0.958 . . . . 6.9199999999999999 110.471 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.9 t30 53.7 25.29 4.92 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.5 -0.75 . . . . 6.8499999999999996 110.879 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t 51.52 91.39 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.379 -0.826 . . . . 3.8300000000000001 110.77 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -111.92 104.12 12.39 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.51 -0.744 . . . . 6.2599999999999998 110.32 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -140.95 14.29 2.27 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.522 -0.736 . . . . 5.9199999999999999 110.966 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -74.04 -35.25 64.31 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.225 -0.922 . . . . 7.0899999999999999 110.213 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.2 m -72.45 162.38 29.55 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.573 -0.704 . . . . 3.0699999999999998 110.246 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.826 ' HB2' ' HB2' ' A' ' 11' ' ' ALA . . . -149.34 137.16 20.41 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.609 -0.682 . . . . 0.70999999999999996 110.334 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.589 HG21 ' CH2' ' A' ' 35' ' ' TRP . 80.6 mt -130.14 159.13 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.541 -0.725 . . . . 0.82999999999999996 109.873 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 49' ' ' VAL . 8.6 p -134.48 128.21 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.564 -0.71 . . . . 1.3400000000000001 110.22 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.4 m -88.78 127.5 35.61 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.605 -0.685 . . . . 0.58999999999999997 110.348 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.708 HD21 HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -120.42 137.72 54.17 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.572 -0.705 . . . . 0.84999999999999998 110.156 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.537 HG22 HG22 ' A' ' 4' ' ' ILE . 65.3 p -117.81 149.94 39.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.508 -0.745 . . . . 1.0900000000000001 110.202 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.401 ' OH ' ' CD1' ' A' ' 62' ' ' PHE . 93.8 m-85 -120.09 152.06 38.13 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.565 -0.71 . . . . 0.75 110.521 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -80.08 -17.96 51.26 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.613 -0.679 . . . . 2.1400000000000001 110.522 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.2 m -165.48 160.24 17.65 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.527 -0.733 . . . . 1.5700000000000001 109.997 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -59.13 -26.83 65.06 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.562 -0.711 . . . . 1.97 110.013 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -65.96 -44.29 85.41 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.603 -0.686 . . . . 3.3399999999999999 110.423 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 28' ' ' TYR . 27.0 tt0 -64.72 -40.02 94.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.438 -0.788 . . . . 1.6299999999999999 110.043 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -63.57 -44.27 94.58 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.611 -0.681 . . . . 2.6499999999999999 110.287 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -60.05 -44.4 94.72 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.502 -0.749 . . . . 2.1699999999999999 110.314 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -65.87 -43.3 88.76 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.557 -0.715 . . . . 1.28 109.829 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.879 ' O ' HG22 ' A' ' 66' ' ' VAL . 54.3 t80 -58.26 -30.57 66.68 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.607 -0.683 . . . . 0.81000000000000005 109.829 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mp -65.67 -40.05 92.0 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.674 -0.641 . . . . 1.6499999999999999 109.808 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 m -104.96 17.53 23.98 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.64 -0.663 . . . . 1.24 110.936 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -113.68 -38.66 4.23 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.286 -0.884 . . . . 1.8 110.404 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.879 HG22 ' O ' ' A' ' 62' ' ' PHE . 34.1 m -99.24 141.48 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.622 -0.674 . . . . 1.3 110.552 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -95.93 138.37 33.67 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.646 -0.659 . . . . 3.8399999999999999 109.956 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.61 HD13 ' CG2' ' A' ' 74' ' ' VAL . 65.4 mt -125.07 133.68 25.04 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.535 -0.728 . . . . 1.97 110.137 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.73 176.35 8.34 Favored 'Trans proline' 0 N--CA 1.489 1.232 0 O-C-N 123.852 1.449 . . . . 1.4399999999999999 110.084 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -79.49 -2.6 42.87 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.582 -0.699 . . . . 4.0999999999999996 111.789 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.67 ' O ' HD13 ' A' ' 72' ' ' ILE . 39.0 p -93.33 15.07 16.5 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.152 -0.967 . . . . 1.73 110.48 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 71' ' ' THR . 42.2 mm -130.25 140.03 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.283 -0.886 . . . . 1.3400000000000001 110.518 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.9 m -100.38 126.61 46.76 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.64 -0.662 . . . . 1.1499999999999999 109.64 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.61 ' CG2' HD13 ' A' ' 68' ' ' ILE . 58.8 t -103.05 123.6 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.512 -0.742 . . . . 1.9399999999999999 110.511 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.439 ' O ' HG13 ' A' ' 5' ' ' VAL . 12.5 m -128.73 142.14 51.1 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.682 -0.636 . . . . 1.6699999999999999 109.751 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.9 t -130.01 154.72 47.12 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.485 -0.76 . . . . 1.05 110.475 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.77 -177.94 44.26 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.94 -1.264 . . . . 0.52000000000000002 109.94 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.02 136.9 48.91 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.649 -0.912 . . . . 2.2999999999999998 109.767 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 35.4 mmm -114.3 143.78 44.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.523 -0.736 . . . . 1.6100000000000001 110.682 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.7 m -93.3 114.5 26.96 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.677 -0.639 . . . . 1.52 109.819 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.6 mm . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 117.991 -1.004 . . . . 2.3100000000000001 110.185 -179.618 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.437 ' C ' HG23 ' B' ' 2' ' ' THR . 98.9 mtp . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.056 0.455 . . . . 1.5900000000000001 110.148 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.437 HG23 ' C ' ' B' ' 1' ' ' MET . 26.7 p -151.65 120.57 3.42 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.549 -0.719 . . . . 1.72 110.33 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -79.36 145.87 19.16 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 O-C-N 123.825 1.434 . . . . 0.83999999999999997 110.296 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.54 HG22 HG22 ' B' ' 52' ' ' THR . 44.6 pt -136.21 162.09 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.576 -0.703 . . . . 0.78000000000000003 110.902 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.44 HG13 ' O ' ' B' ' 75' ' ' SER . 70.9 t -125.89 158.14 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.697 -0.627 . . . . 1.26 109.448 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -126.72 122.31 34.5 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.483 -0.761 . . . . 0.71999999999999997 110.445 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mp -110.68 106.92 16.3 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.58 -0.7 . . . . 2.0099999999999998 110.116 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -109.44 140.87 42.64 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.589 -0.695 . . . . 2.04 110.253 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.478 ' HA3' HD13 ' B' ' 72' ' ' ILE . . . 167.8 -150.98 17.8 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.519 -1.432 . . . . 0.84999999999999998 109.519 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -79.89 131.33 35.83 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.546 -0.973 . . . . 1.8600000000000001 110.142 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.826 ' HB2' ' HB2' ' B' ' 47' ' ' ALA . . . -63.19 -30.59 71.71 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.568 -0.708 . . . . 1.03 110.358 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -60.65 -44.84 95.93 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.51 -0.744 . . . . 2.4399999999999999 109.999 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 70.9 p -74.49 -38.54 62.85 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.556 -0.715 . . . . 1.0700000000000001 109.756 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.81 -43.1 98.64 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.647 -0.658 . . . . 0.87 110.105 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.77 -40.68 93.46 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.616 -0.677 . . . . 2.9700000000000002 110.141 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 34.0 t -70.04 -34.83 73.75 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.66 -0.65 . . . . 1.4199999999999999 110.124 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' B' ' 21' ' ' PHE . 83.8 mt -69.09 -38.54 79.03 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.583 -0.698 . . . . 1.3999999999999999 110.02 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.423 ' NH1' HG11 ' B' ' 31' ' ' VAL . 14.3 mmm180 -60.04 -40.02 87.95 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.517 -0.739 . . . . 2.8500000000000001 110.022 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -60.76 -40.02 90.94 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.576 -0.702 . . . . 1.9299999999999999 109.956 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 25.0 ttm105 -69.13 -29.86 67.99 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.629 -0.669 . . . . 2.77 110.437 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' B' ' 17' ' ' LEU . 23.7 m-85 -78.78 -11.21 59.98 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.439 -0.788 . . . . 0.89000000000000001 111.196 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -54.96 -42.34 72.24 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.114 -0.991 . . . . 2.1400000000000001 110.668 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.455 ' HE3' ' CE1' ' B' ' 24' ' ' HIS . 49.1 pttt -64.94 -27.45 68.85 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.597 -0.689 . . . . 2.1699999999999999 110.242 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' HIS . . . . . 0.543 ' HB3' HD13 ' B' ' 27' ' ' LEU . 44.3 m170 -92.24 50.64 1.66 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.531 -0.731 . . . . 1.3899999999999999 110.04 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.458 ' HA ' ' CE2' ' B' ' 28' ' ' TYR . 38.9 t -61.5 -22.8 65.43 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.58 -0.7 . . . . 1.6499999999999999 110.659 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.406 ' C ' HD12 ' B' ' 27' ' ' LEU . 28.8 p -92.7 23.84 3.88 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.411 -0.806 . . . . 1.76 111.117 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' B' ' 24' ' ' HIS . 6.4 mp -113.5 12.68 18.69 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.291 -0.881 . . . . 1.52 111.119 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . 0.591 ' HB2' HD11 ' B' ' 51' ' ' LEU . 52.1 p90 -165.49 158.16 15.57 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.181 -0.95 . . . . 0.65000000000000002 110.516 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 90.5 m -82.11 -40.82 21.35 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.542 -0.724 . . . . 1.02 110.313 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.15 162.01 12.75 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.521 -0.737 . . . . 1.03 110.41 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.712 HG22 HD21 ' B' ' 51' ' ' LEU . 58.0 t -129.15 132.0 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.542 -0.724 . . . . 1.47 109.987 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 3.9 m -86.71 177.44 7.33 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.54 -0.725 . . . . 1.22 110.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 24.6 p -75.37 -161.69 0.16 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.54 -0.725 . . . . 1.2 109.967 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.431 ' CG2' ' HB1' ' B' ' 47' ' ' ALA . 57.8 m -107.37 131.98 53.65 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.435 -0.791 . . . . 1.21 111.098 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.587 ' CH2' HG21 ' B' ' 48' ' ' ILE . 48.6 p-90 -136.56 162.3 33.49 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.582 -0.699 . . . . 0.96999999999999997 109.788 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -143.51 162.65 35.27 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.594 -0.691 . . . . 3.27 110.853 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -66.94 150.97 48.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.705 -0.622 . . . . 1.1799999999999999 110.287 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 31' ' ' VAL . 7.0 t -132.89 151.21 52.07 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.582 -0.699 . . . . 1.99 110.171 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.61 -80.0 0.03 OUTLIER Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.707 -1.357 . . . . 3.4300000000000002 109.707 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -148.25 179.16 7.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.597 -0.943 . . . . 6.8600000000000003 110.421 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 41.0 t30 53.65 25.36 4.9 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.479 -0.763 . . . . 6.8099999999999996 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t 51.49 91.38 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.336 -0.853 . . . . 3.79 110.752 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -111.87 104.09 12.37 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.547 -0.721 . . . . 6.25 110.283 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -140.87 14.14 2.28 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.529 -0.732 . . . . 5.9100000000000001 110.94 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -73.98 -35.25 64.44 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.249 -0.907 . . . . 7.1100000000000003 110.236 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 61.8 m -72.44 162.37 29.57 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.553 -0.717 . . . . 3.0800000000000001 110.246 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.826 ' HB2' ' HB2' ' B' ' 11' ' ' ALA . . . -149.33 137.16 20.41 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.542 -0.724 . . . . 0.70999999999999996 110.291 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.587 HG21 ' CH2' ' B' ' 35' ' ' TRP . 80.9 mt -130.18 159.12 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.543 -0.723 . . . . 0.83999999999999997 109.859 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.433 ' O ' HG13 ' B' ' 49' ' ' VAL . 8.7 p -134.47 128.25 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.499 -0.75 . . . . 1.3400000000000001 110.21 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 39.7 m -88.8 127.41 35.61 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.604 -0.685 . . . . 0.59999999999999998 110.374 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.712 HD21 HG22 ' B' ' 31' ' ' VAL . 0.2 OUTLIER -120.34 137.78 54.08 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.55 -0.719 . . . . 0.85999999999999999 110.158 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . 0.54 HG22 HG22 ' B' ' 4' ' ' ILE . 64.3 p -117.91 149.98 39.98 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.538 -0.727 . . . . 1.0800000000000001 110.155 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . 0.402 ' OH ' ' CD1' ' B' ' 62' ' ' PHE . 93.7 m-85 -120.12 152.13 38.06 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.554 -0.716 . . . . 0.75 110.492 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -80.1 -17.91 51.34 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.668 -0.645 . . . . 2.1200000000000001 110.578 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 6.2 m -165.57 160.29 17.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.485 -0.759 . . . . 1.5700000000000001 109.995 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -59.16 -26.83 65.11 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.517 -0.739 . . . . 1.95 110.009 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -65.95 -44.35 85.3 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.573 -0.704 . . . . 3.3300000000000001 110.4 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' B' ' 28' ' ' TYR . 27.0 tt0 -64.69 -40.0 94.64 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.403 -0.81 . . . . 1.6200000000000001 110.087 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -63.58 -44.26 94.59 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.628 -0.67 . . . . 2.6499999999999999 110.307 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -60.0 -44.46 94.53 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.516 -0.74 . . . . 2.1699999999999999 110.289 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -65.86 -43.29 88.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.567 -0.708 . . . . 1.28 109.82 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.879 ' O ' HG22 ' B' ' 66' ' ' VAL . 54.3 t80 -58.25 -30.53 66.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.596 -0.69 . . . . 0.81000000000000005 109.866 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mp -65.66 -40.08 92.04 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.698 -0.626 . . . . 1.6499999999999999 109.808 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 36.5 m -105.0 17.53 23.97 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.624 -0.673 . . . . 1.26 110.902 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -113.69 -38.7 4.21 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.267 -0.895 . . . . 1.8300000000000001 110.374 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.879 HG22 ' O ' ' B' ' 62' ' ' PHE . 34.2 m -99.31 141.48 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.557 -0.714 . . . . 1.3 110.53 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -95.88 138.34 33.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.622 -0.674 . . . . 3.8399999999999999 109.931 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.609 HD13 ' CG2' ' B' ' 74' ' ' VAL . 65.2 mt -125.05 133.62 24.99 Favored Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 121.611 -0.681 . . . . 1.98 110.148 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -71.71 176.46 8.16 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 O-C-N 123.876 1.461 . . . . 1.4399999999999999 110.107 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -79.51 -2.68 43.29 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.524 -0.735 . . . . 4.0999999999999996 111.806 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.669 ' O ' HD13 ' B' ' 72' ' ' ILE . 39.1 p -93.25 15.02 16.44 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.126 -0.984 . . . . 1.74 110.489 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.669 HD13 ' O ' ' B' ' 71' ' ' THR . 42.2 mm -130.26 139.94 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.35 -0.844 . . . . 1.3500000000000001 110.521 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 77.4 m -100.27 126.58 46.6 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.573 -0.704 . . . . 1.1499999999999999 109.656 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.609 ' CG2' HD13 ' B' ' 68' ' ' ILE . 58.4 t -103.08 123.61 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.502 -0.749 . . . . 1.9299999999999999 110.53 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . 0.44 ' O ' HG13 ' B' ' 5' ' ' VAL . 12.0 m -128.7 142.12 51.12 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.622 -0.674 . . . . 1.6799999999999999 109.749 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 7.9 t -130.01 154.65 47.19 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.462 -0.774 . . . . 1.04 110.437 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.71 -178.0 44.26 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.939 -1.264 . . . . 0.5 109.939 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.8 136.86 49.09 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.703 -0.88 . . . . 2.29 109.762 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 34.9 mmm -114.55 143.05 45.61 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.486 -0.759 . . . . 1.6399999999999999 110.653 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . 0.407 ' O ' HD13 ' B' ' 81' ' ' ILE . 54.3 m -92.17 117.1 29.54 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.646 -0.659 . . . . 1.5 109.668 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.407 HD13 ' O ' ' B' ' 80' ' ' SER . 49.7 mm . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 118.045 -0.978 . . . . 2.29 110.138 -179.672 . . . . . . . . 1 1 . 1 stop_ save_