data_1dbd_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 1dbd _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 2.449 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.125 0.488 . . . . 15.16 110.26 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.338 11.5 mmm180 -89.36 -72.54 0.55 Allowed 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 113.93 1.085 . . . . 12.4 113.93 165.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . 1.985 14.5 m -99.54 103.17 14.89 Favored 'General case' 0 C--N 1.355 0.84 2 C-N-CA 137.593 6.357 . . . . 8.8 115.168 17.407 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.1 p -106.64 64.92 0.66 Allowed 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 104.666 -2.346 . . . . 7.36 104.666 167.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -99.95 -150.71 0.38 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.477 1.111 . . . . 6.89 110.563 -172.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -98.55 140.53 32.64 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-O 123.754 1.74 . . . . 5.02 113.236 -157.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.29 136.46 21.35 Favored Glycine 0 C--N 1.354 1.575 0 N-CA-C 106.489 -2.644 . . . . 2.63 106.489 140.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -81.77 67.61 7.81 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 119.902 1.851 . . . . 3.12 111.998 -165.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -117.38 126.44 52.67 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 127.293 2.237 . . . . 1.51 106.999 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.3 mt -99.41 -3.57 33.47 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 114.979 1.474 . . . . 2.29 114.979 -171.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 29.1 mt -92.39 13.86 18.26 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.443 -1.41 . . . . 1.53 112.587 -171.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -61.49 -45.48 94.06 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.272 1.829 . . . . 3.85 115.557 -172.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.18 131.82 42.47 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.823 0.849 . . . . 3.46 111.413 -172.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.54 58.96 2.04 Favored Glycine 0 C--N 1.358 1.786 0 C-N-CA 126.008 1.766 . . . . 2.54 115.61 -164.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.49 43.49 0.07 OUTLIER Glycine 0 CA--C 1.483 -1.921 0 N-CA-C 105.073 -3.211 . . . . 2.42 105.073 171.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.6 m -106.75 81.62 1.6 Allowed 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 106.25 -1.759 . . . . 1.82 106.25 -176.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.7 t -83.54 138.57 33.34 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 108.273 -1.01 . . . . 1.52 108.273 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.25 42.7 p90 -113.13 116.41 29.82 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 122.102 0.953 . . . . 1.75 110.868 176.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.51 116.06 14.76 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 121.194 -0.941 . . . . 0.78 108.999 162.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.0 tp -101.65 115.77 31.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 106.165 -1.791 . . . . 1.59 106.165 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.0 mp -114.81 106.1 19.95 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.789 0 N-CA-C 107.483 -1.303 . . . . 1.19 107.483 -172.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.6 m -95.79 59.47 2.05 Favored 'General case' 0 CA--C 1.493 -1.227 0 CA-C-O 122.953 1.359 . . . . 1.69 111.045 -176.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.7 155.91 48.87 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-O 123.593 1.663 . . . . 1.01 115.05 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.2 m -63.43 134.39 55.59 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 120.221 -1.753 . . . . 1.56 111.661 174.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.94 -58.35 2.82 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 126.88 2.072 . . . . 1.36 116.541 -164.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -54.83 -45.39 74.44 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 127.146 2.178 . . . . 2.32 111.162 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -67.26 -43.71 81.18 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.915 1.286 . . . . 2.5 111.515 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.2 t -63.25 -41.06 91.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 O-C-N 120.818 -1.176 . . . . 1.49 113.344 173.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -59.01 -47.95 83.35 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.95 1.3 . . . . 3.49 111.904 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 90.2 m -61.44 -50.51 72.51 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 123.749 0.82 . . . . 2.17 112.258 171.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -47.36 -58.0 4.64 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 126.663 1.985 . . . . 1.72 112.908 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -62.77 -41.15 99.1 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 118.286 0.494 . . . . 3.08 112.117 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -61.5 -41.61 97.54 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.908 0.883 . . . . 3.16 111.796 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -73.37 -47.48 41.85 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 125.719 1.608 . . . . 3.72 112.042 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 t -60.72 -44.6 97.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 C-N-CA 126.016 1.727 . . . . 2.0 114.69 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -53.33 -33.52 53.81 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 116.433 2.012 . . . . 2.71 116.433 -169.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -55.96 -71.5 0.09 Allowed 'General case' 0 C--N 1.351 0.655 0 C-N-CA 126.483 1.913 . . . . 4.15 113.419 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -99.52 -28.53 13.19 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 121.2 -0.937 . . . . 3.41 110.909 -170.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -103.05 37.64 1.92 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 121.919 0.866 . . . . 1.37 111.008 -170.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -69.71 -40.08 76.48 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.208 -0.933 . . . . 3.2 110.737 169.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -64.91 4.48 0.43 Allowed 'General case' 0 C--N 1.352 0.685 0 N-CA-C 115.577 1.695 . . . . 1.9 115.577 175.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -89.38 -7.2 55.71 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 124.246 1.018 . . . . 4.15 111.823 172.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -148.38 169.08 20.98 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 108.276 -1.009 . . . . 1.71 108.276 178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -107.49 -67.32 0.96 Allowed 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 105.531 -2.026 . . . . 2.73 105.531 172.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -122.63 155.59 36.05 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 122.618 1.199 . . . . 1.94 109.679 176.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.5 p -150.91 175.02 12.44 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 107.12 -1.437 . . . . 1.51 107.12 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.1 p -86.38 -159.7 0.5 Allowed 'General case' 0 C--O 1.239 0.504 0 CA-C-O 123.291 1.519 . . . . 0.93 113.042 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.3 p -88.8 -151.8 0.22 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 104.717 -2.327 . . . . 1.57 104.717 158.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -98.04 144.1 27.9 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 103.114 -2.921 . . . . 1.66 103.114 160.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -141.7 178.81 7.22 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.656 -0.868 . . . . 0.95 108.656 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -138.66 153.2 48.56 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 103.671 -2.715 . . . . 1.62 103.671 -171.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.3 m -117.11 144.43 44.69 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 104.709 -2.33 . . . . 1.88 104.709 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 m -88.47 150.94 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 124.78 1.232 . . . . 2.57 110.494 174.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.66 176.26 7.18 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.805 0.842 . . . . 3.7 110.365 168.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -89.52 -72.43 0.56 Allowed 'General case' 0 C--N 1.351 0.673 0 O-C-N 121.295 -0.878 . . . . 6.16 109.289 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -42.5 11.32 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.529 -1.357 . . . . 5.44 113.793 -158.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.69 156.28 50.62 Favored Glycine 0 C--N 1.352 1.45 0 O-C-N 120.47 -1.394 . . . . 4.85 110.481 172.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.34 35.02 0.05 Allowed 'General case' 0 C--N 1.357 0.919 0 CA-C-N 119.313 1.557 . . . . 6.05 114.185 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -108.73 156.87 19.1 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 125.104 2.383 . . . . 7.13 115.308 -163.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.56 -167.39 1.32 Allowed 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 103.612 -2.736 . . . . 6.44 103.612 170.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -98.42 127.24 44.27 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 103.267 -2.864 . . . . 5.25 103.267 154.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.58 -32.45 59.54 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-O 122.178 0.877 . . . . 2.08 111.056 174.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -59.24 138.71 57.5 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 128.371 2.668 . . . . 2.71 113.284 170.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.97 110.49 20.07 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 114.357 -1.292 . . . . 1.1 108.483 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -92.85 92.77 8.06 Favored 'General case' 0 N--CA 1.428 -1.54 0 C-N-CA 125.16 1.384 . . . . 1.97 107.746 -169.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.1 pt -88.5 148.52 4.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.424 -1.423 . . . . 1.78 110.771 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 tt -120.71 128.34 52.86 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 106.865 -1.532 . . . . 1.32 106.865 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 mt -126.47 119.98 55.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 C-N-CA 124.739 1.216 . . . . 1.24 108.643 -172.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.9 p -108.93 106.01 15.8 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.023 1.729 . . . . 1.04 113.131 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -114.43 141.47 47.62 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.87 1.668 . . . . 1.63 110.459 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.9 -43.89 32.81 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 124.596 1.093 . . . . 1.38 112.846 160.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.3 m -74.13 125.11 90.36 Favored Pre-proline 0 C--N 1.352 0.717 0 O-C-N 120.993 -1.298 . . . . 2.13 113.261 -173.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.51 -16.65 30.59 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.018 1.812 . . . . 1.63 110.429 166.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 m -61.86 -32.93 73.32 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 122.54 1.162 . . . . 2.13 113.051 171.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -65.04 -43.62 91.77 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 120.175 -1.578 . . . . 2.47 112.408 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.452 ' NH1' ' OD2' ' B' ' 99' ' ' ASP . 19.1 ttp180 -66.26 -38.1 87.03 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 128.213 2.605 . . . . 3.53 113.498 174.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -91.45 -43.04 9.95 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 121.193 -0.942 . . . . 2.72 112.529 -173.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.417 ' OD1' ' NZ ' ' A' ' 81' ' ' LYS . 44.3 m-20 -73.51 -4.61 34.95 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 120.744 -1.222 . . . . 2.23 111.618 172.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -42.62 -58.83 2.13 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 127.332 2.253 . . . . 1.94 111.814 172.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 tp -65.96 -22.35 66.47 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 116.397 1.999 . . . . 2.34 116.397 -172.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.417 ' NZ ' ' OD1' ' A' ' 78' ' ' ASP . 33.5 mttt -73.45 -58.48 3.28 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 124.646 1.178 . . . . 3.45 110.744 172.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -81.54 -45.19 16.26 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.277 -0.874 . . . . 1.75 112.32 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.59 92.03 17.64 Favored Pre-proline 0 N--CA 1.439 -1.005 0 CA-C-N 119.84 1.2 . . . . 1.24 109.669 170.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -66.15 142.06 65.89 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 121.778 1.652 . . . . 1.4 110.488 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.8 tp -71.03 133.33 85.97 Favored Pre-proline 0 N--CA 1.437 -1.101 0 C-N-CA 124.014 0.925 . . . . 2.02 111.653 -174.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -71.63 152.5 59.39 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.168 1.912 . . . . 1.76 112.465 169.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -70.5 164.79 34.02 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.654 2.236 . . . . 1.84 111.354 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.39 -33.81 6.28 Favored Glycine 0 C--N 1.351 1.396 0 O-C-N 121.485 -0.759 . . . . 1.67 112.135 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.98 166.28 10.53 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 122.277 1.036 . . . . 1.53 109.201 167.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -131.88 155.13 48.39 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 102.926 -2.99 . . . . 2.18 102.926 170.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 32.1 pt -120.1 143.16 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 N-CA-C 103.965 -2.606 . . . . 1.54 103.965 -174.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.4 m -140.85 120.83 13.64 Favored 'General case' 0 CA--C 1.494 -1.207 0 O-C-N 118.617 -2.552 . . . . 1.68 111.234 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -88.85 112.53 3.96 Favored Glycine 0 CA--C 1.487 -1.7 0 C-N-CA 125.469 1.509 . . . . 1.12 109.635 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -109.35 137.49 47.14 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 106.553 -1.647 . . . . 1.91 106.553 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.1 m -99.46 127.22 45.5 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 103.475 -2.787 . . . . 1.54 103.475 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.33 110.49 22.72 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 123.403 0.681 . . . . 1.41 110.872 -166.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.4 m -99.7 110.81 23.19 Favored 'General case' 0 CA--C 1.5 -0.954 0 CA-C-O 121.857 0.837 . . . . 2.31 109.347 176.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.6 tt -69.38 126.42 29.72 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 107.749 -1.204 . . . . 3.06 107.749 173.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.42 ' OD2' ' NH1' ' B' ' 76' ' ' ARG . 4.0 t70 -98.56 -33.36 11.02 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 111.992 0.368 . . . . 4.72 111.992 -162.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--O 1.259 1.58 0 C-N-CA 125.004 1.322 . . . . 3.13 111.335 -176.712 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . 2.394 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 114.071 1.138 . . . . 15.16 114.071 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . 2.307 0.1 OUTLIER -66.81 -97.72 0.0 OUTLIER 'General case' 0 C--N 1.352 0.68 0 N-CA-C 118.513 2.782 . . . . 12.38 118.513 60.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . 2.181 8.7 p -99.06 88.1 3.87 Favored 'General case' 0 CA--C 1.507 -0.688 0 C-N-CA 129.276 3.03 . . . . 8.85 113.46 38.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 21.2 p -102.59 76.44 1.53 Allowed 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 104.716 -2.327 . . . . 7.41 104.716 171.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.88 -111.75 0.18 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 122.559 1.171 . . . . 6.84 109.812 -172.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -98.26 129.94 44.97 Favored 'General case' 0 N--CA 1.42 -1.952 0 C-N-CA 127.928 2.491 . . . . 4.96 104.45 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.39 119.4 2.0 Favored Glycine 0 CA--C 1.493 -1.295 0 O-C-N 119.666 -1.896 . . . . 2.63 116.179 86.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -82.2 69.96 9.03 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.645 0.736 . . . . 3.09 112.042 -160.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -120.98 124.2 44.28 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.508 1.123 . . . . 1.49 108.216 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 45.5 mt -99.2 17.5 19.78 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.055 -1.653 . . . . 2.3 113.874 -169.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -104.42 10.23 35.37 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.474 -1.391 . . . . 1.55 112.608 -174.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -61.44 -51.81 67.18 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 116.378 1.992 . . . . 3.86 116.378 -166.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.21 142.96 52.34 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 121.097 -1.002 . . . . 3.46 111.562 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.31 57.53 1.96 Allowed Glycine 0 C--N 1.358 1.776 0 C-N-CA 124.471 1.034 . . . . 2.51 115.217 -173.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.84 42.86 0.08 OUTLIER Glycine 0 CA--C 1.494 -1.264 0 N-CA-C 109.218 -1.553 . . . . 2.4 109.218 173.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 49.2 m -112.19 83.5 1.81 Allowed 'General case' 0 C--N 1.352 0.683 0 N-CA-C 108.145 -1.057 . . . . 1.82 108.145 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 34.7 t -76.28 151.07 36.86 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.36 -1.463 . . . . 1.54 109.703 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . 0.273 42.3 p90 -118.1 117.23 28.63 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 122.478 1.132 . . . . 1.76 111.466 170.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.01 119.33 19.04 Favored 'General case' 0 N--CA 1.443 -0.808 0 O-C-N 120.941 -1.099 . . . . 0.76 109.008 161.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 27.2 tp -108.22 107.86 18.65 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 105.221 -2.14 . . . . 1.6 105.221 -177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.31 105.32 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 N-CA-C 107.942 -1.133 . . . . 1.2 107.942 -169.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 39.1 m -99.34 60.63 1.17 Allowed 'General case' 0 CA--C 1.499 -1.016 0 C-N-CA 124.459 1.104 . . . . 1.65 111.294 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.74 157.79 50.81 Favored Glycine 0 C--N 1.34 0.797 0 O-C-N 121.649 -0.657 . . . . 0.99 113.842 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 22.8 m -59.53 144.78 46.39 Favored 'General case' 0 C--N 1.345 0.399 0 O-C-N 120.318 -1.695 . . . . 1.57 110.153 169.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.03 74.83 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.13 -1.606 . . . . 1.36 114.767 -161.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -58.3 -40.47 82.08 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 126.356 1.862 . . . . 2.28 110.612 175.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -66.84 -47.5 71.78 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.481 1.112 . . . . 2.47 110.828 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -56.54 -42.57 76.11 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 N-CA-C 113.937 1.088 . . . . 1.49 113.937 172.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -61.05 -49.11 78.68 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 124.656 1.182 . . . . 3.47 112.117 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 94.2 m -63.93 -47.9 78.68 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.675 0.79 . . . . 2.18 112.377 174.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -43.01 -59.31 2.06 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 127.769 2.428 . . . . 1.73 112.082 175.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -66.45 -43.45 85.55 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 112.873 0.694 . . . . 3.05 112.873 -174.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -59.14 -41.29 87.95 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 124.844 1.258 . . . . 3.19 111.025 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -73.14 -47.73 41.53 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 125.864 1.666 . . . . 3.74 111.994 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 t -62.48 -45.32 99.07 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 C-N-CA 126.817 2.047 . . . . 1.99 115.379 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -54.09 -31.49 52.06 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 116.507 2.04 . . . . 2.69 116.507 -165.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -59.91 -62.47 1.85 Allowed 'General case' 0 C--N 1.35 0.587 0 N-CA-C 114.981 1.475 . . . . 4.21 114.981 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -106.53 -29.39 9.69 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-O 122.282 1.039 . . . . 3.41 109.71 -168.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -100.22 36.65 1.81 Allowed 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 123.293 0.637 . . . . 1.35 110.925 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -65.27 -40.8 94.4 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 121.913 0.863 . . . . 3.21 109.868 166.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -72.76 17.73 0.11 Allowed 'General case' 0 C--N 1.352 0.714 0 C-N-CA 124.492 1.117 . . . . 1.89 113.865 173.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -89.42 -8.06 53.85 Favored 'General case' 0 CA--C 1.505 -0.776 0 O-C-N 121.289 -0.882 . . . . 4.17 110.812 162.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -150.44 167.46 27.04 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.859 -1.151 . . . . 1.7 110.669 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -108.14 -72.3 0.73 Allowed 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 107.149 -1.426 . . . . 2.73 107.149 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -112.2 150.3 31.06 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 122.742 1.258 . . . . 1.95 108.242 168.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 31.3 p -150.34 169.87 20.39 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.809 -1.552 . . . . 1.5 106.809 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 66.7 p -94.13 -165.06 1.25 Allowed 'General case' 0 C--O 1.241 0.606 0 CA-C-O 123.898 1.809 . . . . 1.01 115.137 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 75.5 p -89.21 -164.99 1.23 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 105.626 -1.99 . . . . 1.54 105.626 158.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 18.4 p -99.54 107.06 19.13 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 120.713 -1.242 . . . . 1.65 108.677 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 61.9 p-90 -105.04 174.48 5.86 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 121.834 -0.541 . . . . 0.95 110.257 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -140.57 156.06 46.4 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 103.73 -2.692 . . . . 1.63 103.73 -171.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 2.4 m -114.11 153.8 28.87 Favored 'General case' 0 CA--C 1.498 -1.038 0 N-CA-C 106.121 -1.807 . . . . 1.89 106.121 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 22.7 m -88.18 153.95 3.26 Favored 'Isoleucine or valine' 0 C--N 1.348 0.534 0 N-CA-C 108.859 -0.793 . . . . 2.57 108.859 169.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.88 167.95 12.82 Favored 'General case' 0 N--CA 1.446 -0.634 0 O-C-N 120.942 -1.099 . . . . 3.71 110.444 162.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -91.27 -76.8 0.44 Allowed 'General case' 0 C--N 1.353 0.742 0 O-C-N 121.488 -0.758 . . . . 6.18 109.966 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.85 -33.37 17.39 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.817 -1.177 . . . . 5.41 111.801 -171.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.11 142.35 30.44 Favored Glycine 0 C--N 1.351 1.405 0 O-C-N 120.242 -1.536 . . . . 4.83 110.612 170.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.26 26.27 0.06 Allowed 'General case' 0 C--N 1.356 0.872 0 N-CA-C 115.158 1.54 . . . . 6.03 115.158 -174.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -108.21 171.1 7.6 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 123.48 1.609 . . . . 7.06 114.119 -169.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.86 -162.47 0.82 Allowed 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 127.108 2.163 . . . . 6.46 105.572 167.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -98.33 123.66 42.56 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 103.972 -2.603 . . . . 5.24 103.972 154.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.98 -27.97 65.56 Favored Glycine 0 C--N 1.356 1.68 0 C-N-CA 124.653 1.12 . . . . 2.09 112.355 172.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -66.36 149.3 50.59 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 126.627 1.971 . . . . 2.68 110.68 171.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.66 127.06 43.33 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.122 -1.066 . . . . 1.09 108.122 -173.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.77 95.56 5.96 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.521 1.128 . . . . 1.98 108.155 -173.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 pt -89.38 151.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 O-C-N 120.302 -1.499 . . . . 1.77 110.01 169.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 tt -124.93 131.47 53.42 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.163 -1.421 . . . . 1.31 107.163 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 7.9 mt -125.85 116.62 46.64 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 124.097 0.959 . . . . 1.26 109.421 -170.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 51.4 p -109.31 102.65 11.55 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 124.004 0.921 . . . . 1.03 112.777 175.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -104.97 150.44 24.91 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.785 1.634 . . . . 1.62 109.289 166.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.24 -47.01 24.83 Favored Glycine 0 C--N 1.352 1.436 0 O-C-N 122.002 -0.436 . . . . 1.37 112.992 167.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 69.6 m -74.13 136.31 76.11 Favored Pre-proline 0 C--N 1.347 0.459 0 O-C-N 120.332 -1.687 . . . . 2.12 114.46 -167.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -72.56 -23.01 20.4 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.098 1.865 . . . . 1.63 109.064 165.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 5.2 m -59.5 -25.69 64.67 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 122.626 1.203 . . . . 2.15 112.949 169.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -45.97 88.45 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.806 -1.184 . . . . 2.5 111.233 175.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . 0.42 ' NH1' ' OD2' ' A' ' 99' ' ' ASP . 48.2 ttp180 -73.28 -23.55 60.32 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 126.768 2.027 . . . . 3.54 112.929 -178.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.41 -47.22 5.23 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 123.665 0.786 . . . . 2.7 111.263 -172.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -73.51 -3.9 30.55 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 120.737 -1.227 . . . . 2.24 111.69 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -42.76 -68.22 0.21 Allowed 'General case' 0 C--N 1.356 0.883 0 C-N-CA 127.814 2.446 . . . . 1.93 111.906 158.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 tp -66.99 -24.78 66.07 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 115.659 1.726 . . . . 2.34 115.659 -167.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -70.52 -56.11 7.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 126.464 1.906 . . . . 3.47 110.521 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -87.39 -40.49 14.35 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.622 -0.717 . . . . 1.76 111.58 -169.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.55 92.05 32.56 Favored Pre-proline 0 C--N 1.354 0.782 0 CA-C-N 119.922 1.237 . . . . 1.23 110.682 168.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.89 136.58 49.44 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.959 1.773 . . . . 1.39 111.508 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 16.1 tp -70.26 137.93 86.77 Favored Pre-proline 0 N--CA 1.447 -0.608 0 C-N-CA 123.51 0.724 . . . . 2.01 111.681 -173.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -71.5 158.73 53.24 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.248 1.965 . . . . 1.76 113.34 170.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.87 171.87 16.53 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.759 2.306 . . . . 1.82 111.707 165.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.29 -34.8 4.39 Favored Glycine 0 C--N 1.353 1.508 0 O-C-N 121.36 -0.838 . . . . 1.68 112.514 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' MET . . . . . . . . . . . . . 11.9 ptm -99.87 170.68 8.36 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-O 122.554 1.169 . . . . 1.55 110.212 172.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -139.47 160.24 40.3 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 105.082 -2.192 . . . . 2.18 105.082 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 32.8 pt -127.44 149.1 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 N-CA-C 103.254 -2.869 . . . . 1.55 103.254 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 15.6 m -141.65 130.15 22.58 Favored 'General case' 0 CA--C 1.492 -1.257 0 O-C-N 118.32 -2.737 . . . . 1.67 111.965 162.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -88.24 107.79 3.36 Favored Glycine 0 CA--C 1.486 -1.759 0 N-CA-C 108.317 -1.913 . . . . 1.12 108.317 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -105.82 122.83 46.91 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 104.797 -2.297 . . . . 1.91 104.797 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 93.7 m -98.75 122.94 42.62 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 102.771 -3.048 . . . . 1.51 102.771 -174.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -99.61 122.3 42.46 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.201 -0.909 . . . . 1.46 111.034 -158.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' SER . . . . . . . . . . . . . 21.4 m -109.28 122.5 47.47 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 108.752 -0.833 . . . . 2.36 108.752 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 4.1 tt -73.99 131.76 41.72 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 124.716 1.207 . . . . 3.07 109.556 171.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.452 ' OD2' ' NH1' ' A' ' 76' ' ' ARG . 9.8 t70 -99.3 -36.45 9.62 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 113.14 0.793 . . . . 4.79 113.14 -170.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--O 1.26 1.646 0 C-N-CA 125.619 1.567 . . . . 3.09 112.377 -173.562 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 2.449 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.125 0.488 . . . . 15.16 110.26 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.338 11.5 mmm180 -89.36 -72.54 0.55 Allowed 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 113.93 1.085 . . . . 12.4 113.93 165.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . 1.985 14.5 m -99.54 103.17 14.89 Favored 'General case' 0 C--N 1.355 0.84 2 C-N-CA 137.593 6.357 . . . . 8.8 115.168 17.407 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.1 p -106.64 64.92 0.66 Allowed 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 104.666 -2.346 . . . . 7.36 104.666 167.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -99.95 -150.71 0.38 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.477 1.111 . . . . 6.89 110.563 -172.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -98.55 140.53 32.64 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-O 123.754 1.74 . . . . 5.02 113.236 -157.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.29 136.46 21.35 Favored Glycine 0 C--N 1.354 1.575 0 N-CA-C 106.489 -2.644 . . . . 2.63 106.489 140.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -81.77 67.61 7.81 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 119.902 1.851 . . . . 3.12 111.998 -165.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -117.38 126.44 52.67 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 127.293 2.237 . . . . 1.51 106.999 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.3 mt -99.41 -3.57 33.47 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 114.979 1.474 . . . . 2.29 114.979 -171.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 29.1 mt -92.39 13.86 18.26 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.443 -1.41 . . . . 1.53 112.587 -171.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -61.49 -45.48 94.06 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.272 1.829 . . . . 3.85 115.557 -172.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.18 131.82 42.47 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.823 0.849 . . . . 3.46 111.413 -172.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.54 58.96 2.04 Favored Glycine 0 C--N 1.358 1.786 0 C-N-CA 126.008 1.766 . . . . 2.54 115.61 -164.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.49 43.49 0.07 OUTLIER Glycine 0 CA--C 1.483 -1.921 0 N-CA-C 105.073 -3.211 . . . . 2.42 105.073 171.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.6 m -106.75 81.62 1.6 Allowed 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 106.25 -1.759 . . . . 1.82 106.25 -176.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.7 t -83.54 138.57 33.34 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 108.273 -1.01 . . . . 1.52 108.273 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.25 42.7 p90 -113.13 116.41 29.82 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 122.102 0.953 . . . . 1.75 110.868 176.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.51 116.06 14.76 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 121.194 -0.941 . . . . 0.78 108.999 162.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.0 tp -101.65 115.77 31.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 106.165 -1.791 . . . . 1.59 106.165 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.0 mp -114.81 106.1 19.95 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.789 0 N-CA-C 107.483 -1.303 . . . . 1.19 107.483 -172.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.6 m -95.79 59.47 2.05 Favored 'General case' 0 CA--C 1.493 -1.227 0 CA-C-O 122.953 1.359 . . . . 1.69 111.045 -176.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.7 155.91 48.87 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-O 123.593 1.663 . . . . 1.01 115.05 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.2 m -63.43 134.39 55.59 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 120.221 -1.753 . . . . 1.56 111.661 174.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.94 -58.35 2.82 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 126.88 2.072 . . . . 1.36 116.541 -164.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -54.83 -45.39 74.44 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 127.146 2.178 . . . . 2.32 111.162 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -67.26 -43.71 81.18 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.915 1.286 . . . . 2.5 111.515 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.2 t -63.25 -41.06 91.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 O-C-N 120.818 -1.176 . . . . 1.49 113.344 173.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -59.01 -47.95 83.35 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.95 1.3 . . . . 3.49 111.904 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 90.2 m -61.44 -50.51 72.51 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 123.749 0.82 . . . . 2.17 112.258 171.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -47.36 -58.0 4.64 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 126.663 1.985 . . . . 1.72 112.908 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -62.77 -41.15 99.1 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 118.286 0.494 . . . . 3.08 112.117 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -61.5 -41.61 97.54 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.908 0.883 . . . . 3.16 111.796 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -73.37 -47.48 41.85 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 125.719 1.608 . . . . 3.72 112.042 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 t -60.72 -44.6 97.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 C-N-CA 126.016 1.727 . . . . 2.0 114.69 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -53.33 -33.52 53.81 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 116.433 2.012 . . . . 2.71 116.433 -169.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -55.96 -71.5 0.09 Allowed 'General case' 0 C--N 1.351 0.655 0 C-N-CA 126.483 1.913 . . . . 4.15 113.419 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -99.52 -28.53 13.19 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 121.2 -0.937 . . . . 3.41 110.909 -170.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -103.05 37.64 1.92 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 121.919 0.866 . . . . 1.37 111.008 -170.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.419 HH22 ' CG ' ' B' ' 55' ' ' ASP . 1.1 tmt_? -69.71 -40.08 76.48 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.208 -0.933 . . . . 3.2 110.737 169.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -64.91 4.48 0.43 Allowed 'General case' 0 C--N 1.352 0.685 0 N-CA-C 115.577 1.695 . . . . 1.9 115.577 175.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.47 HH12 ' HB2' ' A' ' 78' ' ' ASP . 5.8 mmp_? -89.38 -7.2 55.71 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 124.246 1.018 . . . . 4.15 111.823 172.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -148.38 169.08 20.98 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 108.276 -1.009 . . . . 1.71 108.276 178.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -107.49 -67.32 0.96 Allowed 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 105.531 -2.026 . . . . 2.73 105.531 172.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -122.63 155.59 36.05 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 122.618 1.199 . . . . 1.94 109.679 176.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.5 p -150.91 175.02 12.44 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 107.12 -1.437 . . . . 1.51 107.12 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.1 p -86.38 -159.7 0.5 Allowed 'General case' 0 C--O 1.239 0.504 0 CA-C-O 123.291 1.519 . . . . 0.93 113.042 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.3 p -88.8 -151.8 0.22 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 104.717 -2.327 . . . . 1.57 104.717 158.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -98.04 144.1 27.9 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 103.114 -2.921 . . . . 1.66 103.114 160.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -141.7 178.81 7.22 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.656 -0.868 . . . . 0.95 108.656 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -138.66 153.2 48.56 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 103.671 -2.715 . . . . 1.62 103.671 -171.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.3 m -117.11 144.43 44.69 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 104.709 -2.33 . . . . 1.88 104.709 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 m -88.47 150.94 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 124.78 1.232 . . . . 2.57 110.494 174.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.66 176.26 7.18 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.805 0.842 . . . . 3.7 110.365 168.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -89.52 -72.43 0.56 Allowed 'General case' 0 C--N 1.351 0.673 0 O-C-N 121.295 -0.878 . . . . 6.16 109.289 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -42.5 11.32 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.529 -1.357 . . . . 5.44 113.793 -158.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.69 156.28 50.62 Favored Glycine 0 C--N 1.352 1.45 0 O-C-N 120.47 -1.394 . . . . 4.85 110.481 172.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.34 35.02 0.05 Allowed 'General case' 0 C--N 1.357 0.919 0 CA-C-N 119.313 1.557 . . . . 6.05 114.185 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -108.73 156.87 19.1 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 125.104 2.383 . . . . 7.13 115.308 -163.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.56 -167.39 1.32 Allowed 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 103.612 -2.736 . . . . 6.44 103.612 170.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -98.42 127.24 44.27 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 103.267 -2.864 . . . . 5.25 103.267 154.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.58 -32.45 59.54 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-O 122.178 0.877 . . . . 2.08 111.056 174.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -59.24 138.71 57.5 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 128.371 2.668 . . . . 2.71 113.284 170.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.97 110.49 20.07 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 114.357 -1.292 . . . . 1.1 108.483 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -92.85 92.77 8.06 Favored 'General case' 0 N--CA 1.428 -1.54 0 C-N-CA 125.16 1.384 . . . . 1.97 107.746 -169.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.1 pt -88.5 148.52 4.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.424 -1.423 . . . . 1.78 110.771 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 tt -120.71 128.34 52.86 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 106.865 -1.532 . . . . 1.32 106.865 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 mt -126.47 119.98 55.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 C-N-CA 124.739 1.216 . . . . 1.24 108.643 -172.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.9 p -108.93 106.01 15.8 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.023 1.729 . . . . 1.04 113.131 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -114.43 141.47 47.62 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.87 1.668 . . . . 1.63 110.459 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.9 -43.89 32.81 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 124.596 1.093 . . . . 1.38 112.846 160.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.3 m -74.13 125.11 90.36 Favored Pre-proline 0 C--N 1.352 0.717 0 O-C-N 120.993 -1.298 . . . . 2.13 113.261 -173.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.51 -16.65 30.59 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.018 1.812 . . . . 1.63 110.429 166.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 m -61.86 -32.93 73.32 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 122.54 1.162 . . . . 2.13 113.051 171.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -65.04 -43.62 91.77 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 120.175 -1.578 . . . . 2.47 112.408 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -66.26 -38.1 87.03 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 128.213 2.605 . . . . 3.53 113.498 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -91.45 -43.04 9.95 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 121.193 -0.942 . . . . 2.72 112.529 -173.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.47 ' HB2' HH12 ' A' ' 42' ' ' ARG . 44.3 m-20 -73.51 -4.61 34.95 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 120.744 -1.222 . . . . 2.23 111.618 172.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -42.62 -58.83 2.13 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 127.332 2.253 . . . . 1.94 111.814 172.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 tp -65.96 -22.35 66.47 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 116.397 1.999 . . . . 2.34 116.397 -172.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -73.45 -58.48 3.28 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 124.646 1.178 . . . . 3.45 110.744 172.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -81.54 -45.19 16.26 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.277 -0.874 . . . . 1.75 112.32 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.59 92.03 17.64 Favored Pre-proline 0 N--CA 1.439 -1.005 0 CA-C-N 119.84 1.2 . . . . 1.24 109.669 170.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -66.15 142.06 65.89 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 121.778 1.652 . . . . 1.4 110.488 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.8 tp -71.03 133.33 85.97 Favored Pre-proline 0 N--CA 1.437 -1.101 0 C-N-CA 124.014 0.925 . . . . 2.02 111.653 -174.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -71.63 152.5 59.39 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.168 1.912 . . . . 1.76 112.465 169.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -70.5 164.79 34.02 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.654 2.236 . . . . 1.84 111.354 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.39 -33.81 6.28 Favored Glycine 0 C--N 1.351 1.396 0 O-C-N 121.485 -0.759 . . . . 1.67 112.135 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.98 166.28 10.53 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 122.277 1.036 . . . . 1.53 109.201 167.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -131.88 155.13 48.39 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 102.926 -2.99 . . . . 2.18 102.926 170.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 32.1 pt -120.1 143.16 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 N-CA-C 103.965 -2.606 . . . . 1.54 103.965 -174.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.4 m -140.85 120.83 13.64 Favored 'General case' 0 CA--C 1.494 -1.207 0 O-C-N 118.617 -2.552 . . . . 1.68 111.234 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -88.85 112.53 3.96 Favored Glycine 0 CA--C 1.487 -1.7 0 C-N-CA 125.469 1.509 . . . . 1.12 109.635 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -109.35 137.49 47.14 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 106.553 -1.647 . . . . 1.91 106.553 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.1 m -99.46 127.22 45.5 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 103.475 -2.787 . . . . 1.54 103.475 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.33 110.49 22.72 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 123.403 0.681 . . . . 1.41 110.872 -166.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.4 m -99.7 110.81 23.19 Favored 'General case' 0 CA--C 1.5 -0.954 0 CA-C-O 121.857 0.837 . . . . 2.31 109.347 176.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.6 tt -69.38 126.42 29.72 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 107.749 -1.204 . . . . 3.06 107.749 173.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.41 ' OD2' ' NH1' ' B' ' 76' ' ' ARG . 4.0 t70 -98.56 -33.36 11.02 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 111.992 0.368 . . . . 4.72 111.992 -162.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--O 1.259 1.58 0 C-N-CA 125.004 1.322 . . . . 3.13 111.335 -176.712 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . 2.394 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 114.071 1.138 . . . . 15.16 114.071 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.425 ' HA ' ' H ' ' B' ' 4' ' ' THR 2.307 0.1 OUTLIER -66.81 -97.72 0.0 OUTLIER 'General case' 0 C--N 1.352 0.68 0 N-CA-C 118.513 2.782 . . . . 12.38 118.513 60.913 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . 2.181 8.7 p -99.06 88.1 3.87 Favored 'General case' 0 CA--C 1.507 -0.688 0 C-N-CA 129.276 3.03 . . . . 8.85 113.46 38.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.425 ' H ' ' HA ' ' B' ' 2' ' ' ARG . 21.2 p -102.59 76.44 1.53 Allowed 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 104.716 -2.327 . . . . 7.41 104.716 171.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -99.88 -111.75 0.18 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 122.559 1.171 . . . . 6.84 109.812 -172.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -98.26 129.94 44.97 Favored 'General case' 0 N--CA 1.42 -1.952 0 C-N-CA 127.928 2.491 . . . . 4.96 104.45 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.39 119.4 2.0 Favored Glycine 0 CA--C 1.493 -1.295 0 O-C-N 119.666 -1.896 . . . . 2.63 116.179 86.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -82.2 69.96 9.03 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.645 0.736 . . . . 3.09 112.042 -160.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -120.98 124.2 44.28 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.508 1.123 . . . . 1.49 108.216 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 45.5 mt -99.2 17.5 19.78 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.055 -1.653 . . . . 2.3 113.874 -169.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -104.42 10.23 35.37 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.474 -1.391 . . . . 1.55 112.608 -174.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -61.44 -51.81 67.18 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 116.378 1.992 . . . . 3.86 116.378 -166.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.21 142.96 52.34 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 121.097 -1.002 . . . . 3.46 111.562 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.31 57.53 1.96 Allowed Glycine 0 C--N 1.358 1.776 0 C-N-CA 124.471 1.034 . . . . 2.51 115.217 -173.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.84 42.86 0.08 OUTLIER Glycine 0 CA--C 1.494 -1.264 0 N-CA-C 109.218 -1.553 . . . . 2.4 109.218 173.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 49.2 m -112.19 83.5 1.81 Allowed 'General case' 0 C--N 1.352 0.683 0 N-CA-C 108.145 -1.057 . . . . 1.82 108.145 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 34.7 t -76.28 151.07 36.86 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.36 -1.463 . . . . 1.54 109.703 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . 0.273 42.3 p90 -118.1 117.23 28.63 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 122.478 1.132 . . . . 1.76 111.466 170.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.01 119.33 19.04 Favored 'General case' 0 N--CA 1.443 -0.808 0 O-C-N 120.941 -1.099 . . . . 0.76 109.008 161.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 27.2 tp -108.22 107.86 18.65 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 105.221 -2.14 . . . . 1.6 105.221 -177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.31 105.32 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 N-CA-C 107.942 -1.133 . . . . 1.2 107.942 -169.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 39.1 m -99.34 60.63 1.17 Allowed 'General case' 0 CA--C 1.499 -1.016 0 C-N-CA 124.459 1.104 . . . . 1.65 111.294 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.74 157.79 50.81 Favored Glycine 0 C--N 1.34 0.797 0 O-C-N 121.649 -0.657 . . . . 0.99 113.842 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 22.8 m -59.53 144.78 46.39 Favored 'General case' 0 C--N 1.345 0.399 0 O-C-N 120.318 -1.695 . . . . 1.57 110.153 169.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.03 74.83 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.13 -1.606 . . . . 1.36 114.767 -161.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -58.3 -40.47 82.08 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 126.356 1.862 . . . . 2.28 110.612 175.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -66.84 -47.5 71.78 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.481 1.112 . . . . 2.47 110.828 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -56.54 -42.57 76.11 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 N-CA-C 113.937 1.088 . . . . 1.49 113.937 172.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -61.05 -49.11 78.68 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 124.656 1.182 . . . . 3.47 112.117 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 94.2 m -63.93 -47.9 78.68 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.675 0.79 . . . . 2.18 112.377 174.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -43.01 -59.31 2.06 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 127.769 2.428 . . . . 1.73 112.082 175.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -66.45 -43.45 85.55 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 112.873 0.694 . . . . 3.05 112.873 -174.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -59.14 -41.29 87.95 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 124.844 1.258 . . . . 3.19 111.025 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -73.14 -47.73 41.53 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 125.864 1.666 . . . . 3.74 111.994 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 t -62.48 -45.32 99.07 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 C-N-CA 126.817 2.047 . . . . 1.99 115.379 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -54.09 -31.49 52.06 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 116.507 2.04 . . . . 2.69 116.507 -165.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -59.91 -62.47 1.85 Allowed 'General case' 0 C--N 1.35 0.587 0 N-CA-C 114.981 1.475 . . . . 4.21 114.981 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -106.53 -29.39 9.69 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-O 122.282 1.039 . . . . 3.41 109.71 -168.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -100.22 36.65 1.81 Allowed 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 123.293 0.637 . . . . 1.35 110.925 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -65.27 -40.8 94.4 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 121.913 0.863 . . . . 3.21 109.868 166.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -72.76 17.73 0.11 Allowed 'General case' 0 C--N 1.352 0.714 0 C-N-CA 124.492 1.117 . . . . 1.89 113.865 173.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.452 HH21 ' HA ' ' B' ' 75' ' ' GLN . 11.2 mmp_? -89.42 -8.06 53.85 Favored 'General case' 0 CA--C 1.505 -0.776 0 O-C-N 121.289 -0.882 . . . . 4.17 110.812 162.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -150.44 167.46 27.04 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.859 -1.151 . . . . 1.7 110.669 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -108.14 -72.3 0.73 Allowed 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 107.149 -1.426 . . . . 2.73 107.149 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -112.2 150.3 31.06 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 122.742 1.258 . . . . 1.95 108.242 168.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 31.3 p -150.34 169.87 20.39 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.809 -1.552 . . . . 1.5 106.809 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 66.7 p -94.13 -165.06 1.25 Allowed 'General case' 0 C--O 1.241 0.606 0 CA-C-O 123.898 1.809 . . . . 1.01 115.137 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 75.5 p -89.21 -164.99 1.23 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 105.626 -1.99 . . . . 1.54 105.626 158.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 18.4 p -99.54 107.06 19.13 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 120.713 -1.242 . . . . 1.65 108.677 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 61.9 p-90 -105.04 174.48 5.86 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 121.834 -0.541 . . . . 0.95 110.257 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -140.57 156.06 46.4 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 103.73 -2.692 . . . . 1.63 103.73 -171.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 2.4 m -114.11 153.8 28.87 Favored 'General case' 0 CA--C 1.498 -1.038 0 N-CA-C 106.121 -1.807 . . . . 1.89 106.121 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 22.7 m -88.18 153.95 3.26 Favored 'Isoleucine or valine' 0 C--N 1.348 0.534 0 N-CA-C 108.859 -0.793 . . . . 2.57 108.859 169.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.88 167.95 12.82 Favored 'General case' 0 N--CA 1.446 -0.634 0 O-C-N 120.942 -1.099 . . . . 3.71 110.444 162.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.419 ' CG ' HH22 ' A' ' 40' ' ' ARG . 9.8 t70 -91.27 -76.8 0.44 Allowed 'General case' 0 C--N 1.353 0.742 0 O-C-N 121.488 -0.758 . . . . 6.18 109.966 -176.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.85 -33.37 17.39 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.817 -1.177 . . . . 5.41 111.801 -171.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.11 142.35 30.44 Favored Glycine 0 C--N 1.351 1.405 0 O-C-N 120.242 -1.536 . . . . 4.83 110.612 170.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.26 26.27 0.06 Allowed 'General case' 0 C--N 1.356 0.872 0 N-CA-C 115.158 1.54 . . . . 6.03 115.158 -174.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -108.21 171.1 7.6 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 123.48 1.609 . . . . 7.06 114.119 -169.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.86 -162.47 0.82 Allowed 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 127.108 2.163 . . . . 6.46 105.572 167.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -98.33 123.66 42.56 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 103.972 -2.603 . . . . 5.24 103.972 154.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.98 -27.97 65.56 Favored Glycine 0 C--N 1.356 1.68 0 C-N-CA 124.653 1.12 . . . . 2.09 112.355 172.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -66.36 149.3 50.59 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 126.627 1.971 . . . . 2.68 110.68 171.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.66 127.06 43.33 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.122 -1.066 . . . . 1.09 108.122 -173.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.77 95.56 5.96 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.521 1.128 . . . . 1.98 108.155 -173.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 pt -89.38 151.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 O-C-N 120.302 -1.499 . . . . 1.77 110.01 169.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 tt -124.93 131.47 53.42 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.163 -1.421 . . . . 1.31 107.163 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 7.9 mt -125.85 116.62 46.64 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 124.097 0.959 . . . . 1.26 109.421 -170.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 51.4 p -109.31 102.65 11.55 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 124.004 0.921 . . . . 1.03 112.777 175.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -104.97 150.44 24.91 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.785 1.634 . . . . 1.62 109.289 166.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.24 -47.01 24.83 Favored Glycine 0 C--N 1.352 1.436 0 O-C-N 122.002 -0.436 . . . . 1.37 112.992 167.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 69.6 m -74.13 136.31 76.11 Favored Pre-proline 0 C--N 1.347 0.459 0 O-C-N 120.332 -1.687 . . . . 2.12 114.46 -167.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -72.56 -23.01 20.4 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.098 1.865 . . . . 1.63 109.064 165.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 5.2 m -59.5 -25.69 64.67 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 122.626 1.203 . . . . 2.15 112.949 169.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLN . . . . . 0.452 ' HA ' HH21 ' B' ' 42' ' ' ARG . 0.0 OUTLIER -63.45 -45.97 88.45 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.806 -1.184 . . . . 2.5 111.233 175.259 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ARG . . . . . 0.41 ' NH1' ' OD2' ' A' ' 99' ' ' ASP . 48.2 ttp180 -73.28 -23.55 60.32 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 126.768 2.027 . . . . 3.54 112.929 -178.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.41 -47.22 5.23 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 123.665 0.786 . . . . 2.7 111.263 -172.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -73.51 -3.9 30.55 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 120.737 -1.227 . . . . 2.24 111.69 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -42.76 -68.22 0.21 Allowed 'General case' 0 C--N 1.356 0.883 0 C-N-CA 127.814 2.446 . . . . 1.93 111.906 158.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 tp -66.99 -24.78 66.07 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 115.659 1.726 . . . . 2.34 115.659 -167.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -70.52 -56.11 7.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 126.464 1.906 . . . . 3.47 110.521 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -87.39 -40.49 14.35 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.622 -0.717 . . . . 1.76 111.58 -169.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.55 92.05 32.56 Favored Pre-proline 0 C--N 1.354 0.782 0 CA-C-N 119.922 1.237 . . . . 1.23 110.682 168.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.89 136.58 49.44 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.959 1.773 . . . . 1.39 111.508 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 16.1 tp -70.26 137.93 86.77 Favored Pre-proline 0 N--CA 1.447 -0.608 0 C-N-CA 123.51 0.724 . . . . 2.01 111.681 -173.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -71.5 158.73 53.24 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.248 1.965 . . . . 1.76 113.34 170.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.87 171.87 16.53 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.759 2.306 . . . . 1.82 111.707 165.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.29 -34.8 4.39 Favored Glycine 0 C--N 1.353 1.508 0 O-C-N 121.36 -0.838 . . . . 1.68 112.514 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' MET . . . . . . . . . . . . . 11.9 ptm -99.87 170.68 8.36 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-O 122.554 1.169 . . . . 1.55 110.212 172.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -139.47 160.24 40.3 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 105.082 -2.192 . . . . 2.18 105.082 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 32.8 pt -127.44 149.1 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 N-CA-C 103.254 -2.869 . . . . 1.55 103.254 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 15.6 m -141.65 130.15 22.58 Favored 'General case' 0 CA--C 1.492 -1.257 0 O-C-N 118.32 -2.737 . . . . 1.67 111.965 162.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -88.24 107.79 3.36 Favored Glycine 0 CA--C 1.486 -1.759 0 N-CA-C 108.317 -1.913 . . . . 1.12 108.317 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -105.82 122.83 46.91 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 104.797 -2.297 . . . . 1.91 104.797 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 93.7 m -98.75 122.94 42.62 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 102.771 -3.048 . . . . 1.51 102.771 -174.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -99.61 122.3 42.46 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.201 -0.909 . . . . 1.46 111.034 -158.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' SER . . . . . . . . . . . . . 21.4 m -109.28 122.5 47.47 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 108.752 -0.833 . . . . 2.36 108.752 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 4.1 tt -73.99 131.76 41.72 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 124.716 1.207 . . . . 3.07 109.556 171.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -99.3 -36.45 9.62 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 113.14 0.793 . . . . 4.79 113.14 -170.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--O 1.26 1.646 0 C-N-CA 125.619 1.567 . . . . 3.09 112.377 -173.562 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 2.449 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.125 0.488 . . . . 15.16 110.26 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.338 11.5 mmm180 -89.36 -72.54 0.55 Allowed 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 113.93 1.085 . . . . 12.4 113.93 165.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . 1.985 14.5 m -99.54 103.17 14.89 Favored 'General case' 0 C--N 1.355 0.84 2 C-N-CA 137.593 6.357 . . . . 8.8 115.168 17.407 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.1 p -106.64 64.92 0.66 Allowed 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 104.666 -2.346 . . . . 7.36 104.666 167.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -99.95 -150.71 0.38 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.477 1.111 . . . . 6.89 110.563 -172.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -98.55 140.53 32.64 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-O 123.754 1.74 . . . . 5.02 113.236 -157.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.29 136.46 21.35 Favored Glycine 0 C--N 1.354 1.575 0 N-CA-C 106.489 -2.644 . . . . 2.63 106.489 140.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -81.77 67.61 7.81 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 119.902 1.851 . . . . 3.12 111.998 -165.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -117.38 126.44 52.67 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 127.293 2.237 . . . . 1.51 106.999 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.3 mt -99.41 -3.57 33.47 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 114.979 1.474 . . . . 2.29 114.979 -171.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 29.1 mt -92.39 13.86 18.26 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.443 -1.41 . . . . 1.53 112.587 -171.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -61.49 -45.48 94.06 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.272 1.829 . . . . 3.85 115.557 -172.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.18 131.82 42.47 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.823 0.849 . . . . 3.46 111.413 -172.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.54 58.96 2.04 Favored Glycine 0 C--N 1.358 1.786 0 C-N-CA 126.008 1.766 . . . . 2.54 115.61 -164.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.49 43.49 0.07 OUTLIER Glycine 0 CA--C 1.483 -1.921 0 N-CA-C 105.073 -3.211 . . . . 2.42 105.073 171.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.6 m -106.75 81.62 1.6 Allowed 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 106.25 -1.759 . . . . 1.82 106.25 -176.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.7 t -83.54 138.57 33.34 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 108.273 -1.01 . . . . 1.52 108.273 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.25 42.7 p90 -113.13 116.41 29.82 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 122.102 0.953 . . . . 1.75 110.868 176.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.51 116.06 14.76 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 121.194 -0.941 . . . . 0.78 108.999 162.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.0 tp -101.65 115.77 31.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 106.165 -1.791 . . . . 1.59 106.165 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.0 mp -114.81 106.1 19.95 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.789 0 N-CA-C 107.483 -1.303 . . . . 1.19 107.483 -172.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.6 m -95.79 59.47 2.05 Favored 'General case' 0 CA--C 1.493 -1.227 0 CA-C-O 122.953 1.359 . . . . 1.69 111.045 -176.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.7 155.91 48.87 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-O 123.593 1.663 . . . . 1.01 115.05 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.2 m -63.43 134.39 55.59 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 120.221 -1.753 . . . . 1.56 111.661 174.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.94 -58.35 2.82 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 126.88 2.072 . . . . 1.36 116.541 -164.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -54.83 -45.39 74.44 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 127.146 2.178 . . . . 2.32 111.162 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -67.26 -43.71 81.18 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.915 1.286 . . . . 2.5 111.515 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.2 t -63.25 -41.06 91.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 O-C-N 120.818 -1.176 . . . . 1.49 113.344 173.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -59.01 -47.95 83.35 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.95 1.3 . . . . 3.49 111.904 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 90.2 m -61.44 -50.51 72.51 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 123.749 0.82 . . . . 2.17 112.258 171.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -47.36 -58.0 4.64 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 126.663 1.985 . . . . 1.72 112.908 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -62.77 -41.15 99.1 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 118.286 0.494 . . . . 3.08 112.117 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -61.5 -41.61 97.54 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.908 0.883 . . . . 3.16 111.796 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -73.37 -47.48 41.85 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 125.719 1.608 . . . . 3.72 112.042 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 t -60.72 -44.6 97.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 C-N-CA 126.016 1.727 . . . . 2.0 114.69 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -53.33 -33.52 53.81 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 116.433 2.012 . . . . 2.71 116.433 -169.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -55.96 -71.5 0.09 Allowed 'General case' 0 C--N 1.351 0.655 0 C-N-CA 126.483 1.913 . . . . 4.15 113.419 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -99.52 -28.53 13.19 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 121.2 -0.937 . . . . 3.41 110.909 -170.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -103.05 37.64 1.92 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 121.919 0.866 . . . . 1.37 111.008 -170.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.419 HH22 ' CG ' ' B' ' 55' ' ' ASP . 1.1 tmt_? -69.71 -40.08 76.48 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.208 -0.933 . . . . 3.2 110.737 169.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -64.91 4.48 0.43 Allowed 'General case' 0 C--N 1.352 0.685 0 N-CA-C 115.577 1.695 . . . . 1.9 115.577 175.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.47 HH12 ' HB2' ' A' ' 78' ' ' ASP . 5.8 mmp_? -89.38 -7.2 55.71 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 124.246 1.018 . . . . 4.15 111.823 172.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -148.38 169.08 20.98 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 108.276 -1.009 . . . . 1.71 108.276 178.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -107.49 -67.32 0.96 Allowed 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 105.531 -2.026 . . . . 2.73 105.531 172.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -122.63 155.59 36.05 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 122.618 1.199 . . . . 1.94 109.679 176.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.5 p -150.91 175.02 12.44 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 107.12 -1.437 . . . . 1.51 107.12 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.1 p -86.38 -159.7 0.5 Allowed 'General case' 0 C--O 1.239 0.504 0 CA-C-O 123.291 1.519 . . . . 0.93 113.042 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.3 p -88.8 -151.8 0.22 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 104.717 -2.327 . . . . 1.57 104.717 158.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -98.04 144.1 27.9 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 103.114 -2.921 . . . . 1.66 103.114 160.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -141.7 178.81 7.22 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.656 -0.868 . . . . 0.95 108.656 174.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -138.66 153.2 48.56 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 103.671 -2.715 . . . . 1.62 103.671 -171.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.3 m -117.11 144.43 44.69 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 104.709 -2.33 . . . . 1.88 104.709 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 m -88.47 150.94 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 124.78 1.232 . . . . 2.57 110.494 174.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.66 176.26 7.18 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.805 0.842 . . . . 3.7 110.365 168.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -89.52 -72.43 0.56 Allowed 'General case' 0 C--N 1.351 0.673 0 O-C-N 121.295 -0.878 . . . . 6.16 109.289 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -42.5 11.32 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.529 -1.357 . . . . 5.44 113.793 -158.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.69 156.28 50.62 Favored Glycine 0 C--N 1.352 1.45 0 O-C-N 120.47 -1.394 . . . . 4.85 110.481 172.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.34 35.02 0.05 Allowed 'General case' 0 C--N 1.357 0.919 0 CA-C-N 119.313 1.557 . . . . 6.05 114.185 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -108.73 156.87 19.1 Favored 'General case' 0 N--CA 1.429 -1.484 0 CA-C-O 125.104 2.383 . . . . 7.13 115.308 -163.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.56 -167.39 1.32 Allowed 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 103.612 -2.736 . . . . 6.44 103.612 170.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -98.42 127.24 44.27 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 103.267 -2.864 . . . . 5.25 103.267 154.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.58 -32.45 59.54 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-O 122.178 0.877 . . . . 2.08 111.056 174.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -59.24 138.71 57.5 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 128.371 2.668 . . . . 2.71 113.284 170.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.97 110.49 20.07 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 114.357 -1.292 . . . . 1.1 108.483 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -92.85 92.77 8.06 Favored 'General case' 0 N--CA 1.428 -1.54 0 C-N-CA 125.16 1.384 . . . . 1.97 107.746 -169.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.1 pt -88.5 148.52 4.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.424 -1.423 . . . . 1.78 110.771 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 tt -120.71 128.34 52.86 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 106.865 -1.532 . . . . 1.32 106.865 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 mt -126.47 119.98 55.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 C-N-CA 124.739 1.216 . . . . 1.24 108.643 -172.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.9 p -108.93 106.01 15.8 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.023 1.729 . . . . 1.04 113.131 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -114.43 141.47 47.62 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 125.87 1.668 . . . . 1.63 110.459 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.9 -43.89 32.81 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 124.596 1.093 . . . . 1.38 112.846 160.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.3 m -74.13 125.11 90.36 Favored Pre-proline 0 C--N 1.352 0.717 0 O-C-N 120.993 -1.298 . . . . 2.13 113.261 -173.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.51 -16.65 30.59 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.018 1.812 . . . . 1.63 110.429 166.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 m -61.86 -32.93 73.32 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 122.54 1.162 . . . . 2.13 113.051 171.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -65.04 -43.62 91.77 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 120.175 -1.578 . . . . 2.47 112.408 174.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -66.26 -38.1 87.03 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 128.213 2.605 . . . . 3.53 113.498 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -91.45 -43.04 9.95 Favored 'General case' 0 N--CA 1.449 -0.516 0 O-C-N 121.193 -0.942 . . . . 2.72 112.529 -173.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.47 ' HB2' HH12 ' A' ' 42' ' ' ARG . 44.3 m-20 -73.51 -4.61 34.95 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 120.744 -1.222 . . . . 2.23 111.618 172.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -42.62 -58.83 2.13 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 127.332 2.253 . . . . 1.94 111.814 172.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 tp -65.96 -22.35 66.47 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 116.397 1.999 . . . . 2.34 116.397 -172.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -73.45 -58.48 3.28 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 124.646 1.178 . . . . 3.45 110.744 172.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -81.54 -45.19 16.26 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.277 -0.874 . . . . 1.75 112.32 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.59 92.03 17.64 Favored Pre-proline 0 N--CA 1.439 -1.005 0 CA-C-N 119.84 1.2 . . . . 1.24 109.669 170.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -66.15 142.06 65.89 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 121.778 1.652 . . . . 1.4 110.488 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.8 tp -71.03 133.33 85.97 Favored Pre-proline 0 N--CA 1.437 -1.101 0 C-N-CA 124.014 0.925 . . . . 2.02 111.653 -174.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -71.63 152.5 59.39 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.168 1.912 . . . . 1.76 112.465 169.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -70.5 164.79 34.02 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.654 2.236 . . . . 1.84 111.354 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.39 -33.81 6.28 Favored Glycine 0 C--N 1.351 1.396 0 O-C-N 121.485 -0.759 . . . . 1.67 112.135 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.98 166.28 10.53 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 122.277 1.036 . . . . 1.53 109.201 167.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -131.88 155.13 48.39 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 102.926 -2.99 . . . . 2.18 102.926 170.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 32.1 pt -120.1 143.16 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 N-CA-C 103.965 -2.606 . . . . 1.54 103.965 -174.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.4 m -140.85 120.83 13.64 Favored 'General case' 0 CA--C 1.494 -1.207 0 O-C-N 118.617 -2.552 . . . . 1.68 111.234 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -88.85 112.53 3.96 Favored Glycine 0 CA--C 1.487 -1.7 0 C-N-CA 125.469 1.509 . . . . 1.12 109.635 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -109.35 137.49 47.14 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 106.553 -1.647 . . . . 1.91 106.553 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 87.1 m -99.46 127.22 45.5 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 103.475 -2.787 . . . . 1.54 103.475 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.33 110.49 22.72 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 123.403 0.681 . . . . 1.41 110.872 -166.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.4 m -99.7 110.81 23.19 Favored 'General case' 0 CA--C 1.5 -0.954 0 CA-C-O 121.857 0.837 . . . . 2.31 109.347 176.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.6 tt -69.38 126.42 29.72 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 107.749 -1.204 . . . . 3.06 107.749 173.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.41 ' OD2' ' NH1' ' B' ' 76' ' ' ARG . 4.0 t70 -98.56 -33.36 11.02 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 111.992 0.368 . . . . 4.72 111.992 -162.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--O 1.259 1.58 0 C-N-CA 125.004 1.322 . . . . 3.13 111.335 -176.712 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . 2.394 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 114.071 1.138 . . . . 15.16 114.071 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.425 ' HA ' ' H ' ' B' ' 4' ' ' THR 2.307 0.1 OUTLIER -66.81 -97.72 0.0 OUTLIER 'General case' 0 C--N 1.352 0.68 0 N-CA-C 118.513 2.782 . . . . 12.38 118.513 60.913 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . 2.181 8.7 p -99.06 88.1 3.87 Favored 'General case' 0 CA--C 1.507 -0.688 0 C-N-CA 129.276 3.03 . . . . 8.85 113.46 38.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.425 ' H ' ' HA ' ' B' ' 2' ' ' ARG . 21.2 p -102.59 76.44 1.53 Allowed 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 104.716 -2.327 . . . . 7.41 104.716 171.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.88 -111.75 0.18 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 122.559 1.171 . . . . 6.84 109.812 -172.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -98.26 129.94 44.97 Favored 'General case' 0 N--CA 1.42 -1.952 0 C-N-CA 127.928 2.491 . . . . 4.96 104.45 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.39 119.4 2.0 Favored Glycine 0 CA--C 1.493 -1.295 0 O-C-N 119.666 -1.896 . . . . 2.63 116.179 86.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -82.2 69.96 9.03 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.645 0.736 . . . . 3.09 112.042 -160.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -120.98 124.2 44.28 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.508 1.123 . . . . 1.49 108.216 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 45.5 mt -99.2 17.5 19.78 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.055 -1.653 . . . . 2.3 113.874 -169.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -104.42 10.23 35.37 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 120.474 -1.391 . . . . 1.55 112.608 -174.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -61.44 -51.81 67.18 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 116.378 1.992 . . . . 3.86 116.378 -166.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.21 142.96 52.34 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 121.097 -1.002 . . . . 3.46 111.562 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.31 57.53 1.96 Allowed Glycine 0 C--N 1.358 1.776 0 C-N-CA 124.471 1.034 . . . . 2.51 115.217 -173.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.84 42.86 0.08 OUTLIER Glycine 0 CA--C 1.494 -1.264 0 N-CA-C 109.218 -1.553 . . . . 2.4 109.218 173.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 49.2 m -112.19 83.5 1.81 Allowed 'General case' 0 C--N 1.352 0.683 0 N-CA-C 108.145 -1.057 . . . . 1.82 108.145 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 34.7 t -76.28 151.07 36.86 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.36 -1.463 . . . . 1.54 109.703 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . 0.273 42.3 p90 -118.1 117.23 28.63 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 122.478 1.132 . . . . 1.76 111.466 170.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.01 119.33 19.04 Favored 'General case' 0 N--CA 1.443 -0.808 0 O-C-N 120.941 -1.099 . . . . 0.76 109.008 161.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 27.2 tp -108.22 107.86 18.65 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 105.221 -2.14 . . . . 1.6 105.221 -177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.31 105.32 18.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 N-CA-C 107.942 -1.133 . . . . 1.2 107.942 -169.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 39.1 m -99.34 60.63 1.17 Allowed 'General case' 0 CA--C 1.499 -1.016 0 C-N-CA 124.459 1.104 . . . . 1.65 111.294 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.74 157.79 50.81 Favored Glycine 0 C--N 1.34 0.797 0 O-C-N 121.649 -0.657 . . . . 0.99 113.842 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 22.8 m -59.53 144.78 46.39 Favored 'General case' 0 C--N 1.345 0.399 0 O-C-N 120.318 -1.695 . . . . 1.57 110.153 169.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.03 74.83 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.13 -1.606 . . . . 1.36 114.767 -161.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -58.3 -40.47 82.08 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 126.356 1.862 . . . . 2.28 110.612 175.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -66.84 -47.5 71.78 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.481 1.112 . . . . 2.47 110.828 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -56.54 -42.57 76.11 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 N-CA-C 113.937 1.088 . . . . 1.49 113.937 172.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -61.05 -49.11 78.68 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 124.656 1.182 . . . . 3.47 112.117 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 94.2 m -63.93 -47.9 78.68 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.675 0.79 . . . . 2.18 112.377 174.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -43.01 -59.31 2.06 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 127.769 2.428 . . . . 1.73 112.082 175.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -66.45 -43.45 85.55 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 112.873 0.694 . . . . 3.05 112.873 -174.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -59.14 -41.29 87.95 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 124.844 1.258 . . . . 3.19 111.025 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -73.14 -47.73 41.53 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 125.864 1.666 . . . . 3.74 111.994 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 t -62.48 -45.32 99.07 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 C-N-CA 126.817 2.047 . . . . 1.99 115.379 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -54.09 -31.49 52.06 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 116.507 2.04 . . . . 2.69 116.507 -165.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -59.91 -62.47 1.85 Allowed 'General case' 0 C--N 1.35 0.587 0 N-CA-C 114.981 1.475 . . . . 4.21 114.981 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -106.53 -29.39 9.69 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-O 122.282 1.039 . . . . 3.41 109.71 -168.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -100.22 36.65 1.81 Allowed 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 123.293 0.637 . . . . 1.35 110.925 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -65.27 -40.8 94.4 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 121.913 0.863 . . . . 3.21 109.868 166.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -72.76 17.73 0.11 Allowed 'General case' 0 C--N 1.352 0.714 0 C-N-CA 124.492 1.117 . . . . 1.89 113.865 173.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.452 HH21 ' HA ' ' B' ' 75' ' ' GLN . 11.2 mmp_? -89.42 -8.06 53.85 Favored 'General case' 0 CA--C 1.505 -0.776 0 O-C-N 121.289 -0.882 . . . . 4.17 110.812 162.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -150.44 167.46 27.04 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.859 -1.151 . . . . 1.7 110.669 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -108.14 -72.3 0.73 Allowed 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 107.149 -1.426 . . . . 2.73 107.149 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -112.2 150.3 31.06 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 122.742 1.258 . . . . 1.95 108.242 168.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 31.3 p -150.34 169.87 20.39 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.809 -1.552 . . . . 1.5 106.809 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 66.7 p -94.13 -165.06 1.25 Allowed 'General case' 0 C--O 1.241 0.606 0 CA-C-O 123.898 1.809 . . . . 1.01 115.137 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 75.5 p -89.21 -164.99 1.23 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 105.626 -1.99 . . . . 1.54 105.626 158.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 18.4 p -99.54 107.06 19.13 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 120.713 -1.242 . . . . 1.65 108.677 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 61.9 p-90 -105.04 174.48 5.86 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 121.834 -0.541 . . . . 0.95 110.257 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -140.57 156.06 46.4 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 103.73 -2.692 . . . . 1.63 103.73 -171.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 2.4 m -114.11 153.8 28.87 Favored 'General case' 0 CA--C 1.498 -1.038 0 N-CA-C 106.121 -1.807 . . . . 1.89 106.121 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 22.7 m -88.18 153.95 3.26 Favored 'Isoleucine or valine' 0 C--N 1.348 0.534 0 N-CA-C 108.859 -0.793 . . . . 2.57 108.859 169.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.88 167.95 12.82 Favored 'General case' 0 N--CA 1.446 -0.634 0 O-C-N 120.942 -1.099 . . . . 3.71 110.444 162.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.419 ' CG ' HH22 ' A' ' 40' ' ' ARG . 9.8 t70 -91.27 -76.8 0.44 Allowed 'General case' 0 C--N 1.353 0.742 0 O-C-N 121.488 -0.758 . . . . 6.18 109.966 -176.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.85 -33.37 17.39 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.817 -1.177 . . . . 5.41 111.801 -171.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.11 142.35 30.44 Favored Glycine 0 C--N 1.351 1.405 0 O-C-N 120.242 -1.536 . . . . 4.83 110.612 170.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.26 26.27 0.06 Allowed 'General case' 0 C--N 1.356 0.872 0 N-CA-C 115.158 1.54 . . . . 6.03 115.158 -174.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -108.21 171.1 7.6 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 123.48 1.609 . . . . 7.06 114.119 -169.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.86 -162.47 0.82 Allowed 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 127.108 2.163 . . . . 6.46 105.572 167.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -98.33 123.66 42.56 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 103.972 -2.603 . . . . 5.24 103.972 154.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.98 -27.97 65.56 Favored Glycine 0 C--N 1.356 1.68 0 C-N-CA 124.653 1.12 . . . . 2.09 112.355 172.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -66.36 149.3 50.59 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 126.627 1.971 . . . . 2.68 110.68 171.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.66 127.06 43.33 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 108.122 -1.066 . . . . 1.09 108.122 -173.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.77 95.56 5.96 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.521 1.128 . . . . 1.98 108.155 -173.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 pt -89.38 151.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 O-C-N 120.302 -1.499 . . . . 1.77 110.01 169.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 tt -124.93 131.47 53.42 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.163 -1.421 . . . . 1.31 107.163 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 7.9 mt -125.85 116.62 46.64 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 124.097 0.959 . . . . 1.26 109.421 -170.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 51.4 p -109.31 102.65 11.55 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 124.004 0.921 . . . . 1.03 112.777 175.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -104.97 150.44 24.91 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 125.785 1.634 . . . . 1.62 109.289 166.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.24 -47.01 24.83 Favored Glycine 0 C--N 1.352 1.436 0 O-C-N 122.002 -0.436 . . . . 1.37 112.992 167.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 69.6 m -74.13 136.31 76.11 Favored Pre-proline 0 C--N 1.347 0.459 0 O-C-N 120.332 -1.687 . . . . 2.12 114.46 -167.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -72.56 -23.01 20.4 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.098 1.865 . . . . 1.63 109.064 165.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 5.2 m -59.5 -25.69 64.67 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 122.626 1.203 . . . . 2.15 112.949 169.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . 0.452 ' HA ' HH21 ' B' ' 42' ' ' ARG . 0.0 OUTLIER -63.45 -45.97 88.45 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.806 -1.184 . . . . 2.5 111.233 175.259 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . 0.41 ' NH1' ' OD2' ' A' ' 99' ' ' ASP . 48.2 ttp180 -73.28 -23.55 60.32 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 126.768 2.027 . . . . 3.54 112.929 -178.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.41 -47.22 5.23 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 123.665 0.786 . . . . 2.7 111.263 -172.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -73.51 -3.9 30.55 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 120.737 -1.227 . . . . 2.24 111.69 174.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -42.76 -68.22 0.21 Allowed 'General case' 0 C--N 1.356 0.883 0 C-N-CA 127.814 2.446 . . . . 1.93 111.906 158.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 tp -66.99 -24.78 66.07 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 115.659 1.726 . . . . 2.34 115.659 -167.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -70.52 -56.11 7.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 126.464 1.906 . . . . 3.47 110.521 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -87.39 -40.49 14.35 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.622 -0.717 . . . . 1.76 111.58 -169.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.55 92.05 32.56 Favored Pre-proline 0 C--N 1.354 0.782 0 CA-C-N 119.922 1.237 . . . . 1.23 110.682 168.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.89 136.58 49.44 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.959 1.773 . . . . 1.39 111.508 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 16.1 tp -70.26 137.93 86.77 Favored Pre-proline 0 N--CA 1.447 -0.608 0 C-N-CA 123.51 0.724 . . . . 2.01 111.681 -173.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -71.5 158.73 53.24 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.248 1.965 . . . . 1.76 113.34 170.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.87 171.87 16.53 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.759 2.306 . . . . 1.82 111.707 165.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.29 -34.8 4.39 Favored Glycine 0 C--N 1.353 1.508 0 O-C-N 121.36 -0.838 . . . . 1.68 112.514 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' MET . . . . . . . . . . . . . 11.9 ptm -99.87 170.68 8.36 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-O 122.554 1.169 . . . . 1.55 110.212 172.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -139.47 160.24 40.3 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 105.082 -2.192 . . . . 2.18 105.082 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 32.8 pt -127.44 149.1 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 N-CA-C 103.254 -2.869 . . . . 1.55 103.254 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 15.6 m -141.65 130.15 22.58 Favored 'General case' 0 CA--C 1.492 -1.257 0 O-C-N 118.32 -2.737 . . . . 1.67 111.965 162.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -88.24 107.79 3.36 Favored Glycine 0 CA--C 1.486 -1.759 0 N-CA-C 108.317 -1.913 . . . . 1.12 108.317 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -105.82 122.83 46.91 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 104.797 -2.297 . . . . 1.91 104.797 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 93.7 m -98.75 122.94 42.62 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 102.771 -3.048 . . . . 1.51 102.771 -174.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -99.61 122.3 42.46 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.201 -0.909 . . . . 1.46 111.034 -158.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' SER . . . . . . . . . . . . . 21.4 m -109.28 122.5 47.47 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 108.752 -0.833 . . . . 2.36 108.752 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 4.1 tt -73.99 131.76 41.72 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 124.716 1.207 . . . . 3.07 109.556 171.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -99.3 -36.45 9.62 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 113.14 0.793 . . . . 4.79 113.14 -170.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--O 1.26 1.646 0 C-N-CA 125.619 1.567 . . . . 3.09 112.377 -173.562 . . . . . . . . 0 0 . 1 stop_ save_