data_1f4i_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 1f4i _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.939 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.86 -47.79 73.74 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 114.094 -1.412 . . . . 0.0 111.494 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.61 -17.07 61.72 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 112.617 -2.083 . . . . 0.0 110.89 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.9 mt -64.55 -47.24 89.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 C-N-CA 118.197 -1.401 . . . . 0.0 111.481 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.6 -18.56 65.02 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 125.077 1.486 . . . . 0.0 112.506 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.64 -53.43 6.85 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.103 -175.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 23' ' ' TYR . 8.4 mt -53.8 -44.38 70.1 Favored 'General case' 0 CA--C 1.554 1.102 0 O-C-N 126.385 2.303 . . . . 0.0 109.035 173.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -34.59 77.63 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 114.226 -1.352 . . . . 0.0 112.293 176.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.84 -18.03 64.69 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.842 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.8 mp -77.12 4.2 10.84 Favored 'General case' 0 CA--C 1.559 1.306 0 O-C-N 124.151 0.907 . . . . 0.0 111.87 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.97 25.15 9.22 Favored Glycine 0 C--N 1.357 1.739 0 O-C-N 123.865 0.728 . . . . 0.0 112.903 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 11.7 m-30 -109.15 -140.68 0.38 Allowed 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.735 0.903 . . . . 0.0 108.969 -171.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -161.49 135.99 7.09 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 124.204 0.94 . . . . 0.0 108.753 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -48.1 -19.3 0.26 Allowed 'General case' 0 CA--C 1.56 1.344 0 O-C-N 125.701 1.876 . . . . 0.0 113.934 -174.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -80.96 -54.52 5.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.769 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.04 -22.16 66.94 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 119.196 -1.002 . . . . 0.0 111.326 178.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.74 -57.78 7.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.586 0 C-N-CA 127.179 2.192 . . . . 0.0 110.667 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.9 mt -56.81 -50.82 73.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 125.343 1.652 . . . . 0.0 110.366 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.16 -21.68 65.8 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 125.323 1.639 . . . . 0.0 112.111 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.04 -9.22 54.04 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 124.238 0.961 . . . . 0.0 113.276 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.445 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.6 t80 -117.74 -2.33 11.41 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 124.747 1.279 . . . . 0.0 110.346 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -111.28 -39.69 4.64 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.76 -26.93 63.57 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 113.851 -1.522 . . . . 0.0 110.519 175.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.484 ' HG ' ' HA ' ' A' ' 33' ' ' ALA . 1.4 m -83.95 7.09 19.43 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 113.508 -1.678 . . . . 0.0 113.037 174.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 56.97 54.2 7.26 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 122.226 1.012 . . . . 0.0 111.249 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm 37.86 58.56 1.41 Allowed 'General case' 0 C--N 1.35 0.63 0 CA-C-N 112.945 -1.934 . . . . 0.0 113.338 170.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.85 -146.95 0.4 Allowed 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 113.279 -1.782 . . . . 0.0 107.715 -172.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -135.23 -76.46 0.45 Allowed 'General case' 0 C--N 1.355 0.818 0 C-N-CA 119.707 -0.797 . . . . 0.0 110.077 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -23.41 64.76 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.508 -1.678 . . . . 0.0 111.085 177.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -45.47 35.78 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 125.13 1.519 . . . . 0.0 109.67 -177.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.484 ' HA ' ' HG ' ' A' ' 26' ' ' CYS . . . -62.79 -47.82 81.79 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 113.431 -1.713 . . . . 0.0 111.888 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.99 74.56 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 125.075 1.485 . . . . 0.0 110.074 174.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.87 -32.97 68.2 Favored 'General case' 0 C--O 1.214 -0.811 0 C-N-CA 118.47 -1.292 . . . . 0.0 112.63 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.404 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 5.6 t80 -62.3 -55.2 30.53 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 124.278 0.986 . . . . 0.0 109.93 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.32 -29.2 66.99 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 114.306 -1.315 . . . . 0.0 112.14 -171.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -85.94 -25.22 26.2 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.723 -175.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.355 0.833 0 CA-C-N 113.47 -1.695 . . . . 0.0 112.184 178.797 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.91 -46.27 72.05 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.88 -17.03 62.73 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 116.877 -1.929 . . . . 0.0 110.64 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.6 mt -71.84 -33.47 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 119.156 -1.017 . . . . 0.0 111.57 -173.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.61 -17.75 55.59 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 124.286 0.991 . . . . 0.0 110.959 176.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.6 -54.21 5.34 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 124.858 1.349 . . . . 0.0 110.192 -177.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 23' ' ' TYR . 9.4 mt -52.94 -49.78 65.33 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 126.567 2.417 . . . . 0.0 108.693 173.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -63.97 -33.81 76.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 118.972 -1.091 . . . . 0.0 113.09 174.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.08 -18.95 65.68 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 124.351 1.032 . . . . 0.0 112.721 -176.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.45 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.3 mp -77.73 5.13 9.98 Favored 'General case' 0 CA--C 1.562 1.413 0 O-C-N 124.224 0.952 . . . . 0.0 111.886 175.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.63 27.33 9.15 Favored Glycine 0 C--N 1.358 1.796 0 O-C-N 123.722 0.639 . . . . 0.0 112.62 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 11.9 m-30 -108.42 -144.82 0.39 Allowed 'General case' 0 C--N 1.358 0.935 0 O-C-N 125.134 1.137 . . . . 0.0 108.671 -173.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -162.24 141.87 9.67 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.409 1.068 . . . . 0.0 108.923 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.83 -24.99 0.45 Allowed 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 127.256 2.223 . . . . 0.0 114.39 -173.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.06 -50.37 8.03 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.435 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -20.75 66.33 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 118.784 -1.166 . . . . 0.0 110.513 176.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -74.86 -60.2 2.6 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.619 0 C-N-CA 127.398 2.279 . . . . 0.0 111.095 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.9 mm -59.36 -46.61 92.42 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 O-C-N 125.509 1.756 . . . . 0.0 110.805 -178.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.82 -28.98 67.23 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 125.737 1.898 . . . . 0.0 111.493 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.19 -17.23 57.06 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 124.536 1.148 . . . . 0.0 112.906 175.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.445 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.4 t80 -100.12 -25.45 14.28 Favored 'General case' 0 C--O 1.219 -0.553 0 O-C-N 125.072 1.482 . . . . 0.0 109.071 -177.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.37 -37.92 13.67 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 123.996 0.81 . . . . 0.0 109.95 -175.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.32 -25.22 62.32 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 113.854 -1.521 . . . . 0.0 110.769 176.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 m -84.17 8.68 14.88 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 113.824 -1.535 . . . . 0.0 112.452 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 55.47 57.93 4.98 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 122.376 1.084 . . . . 0.0 111.308 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm 33.88 59.14 0.57 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 112.594 -2.093 . . . . 0.0 113.921 174.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -104.87 -143.12 0.37 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 114.242 -1.344 . . . . 0.0 108.639 -170.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -140.61 -75.59 0.33 Allowed 'General case' 0 C--N 1.352 0.705 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.194 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -23.7 64.72 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.217 -1.811 . . . . 0.0 111.052 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -45.8 27.26 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 125.194 1.558 . . . . 0.0 109.558 -176.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.63 -47.19 86.55 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 113.396 -1.729 . . . . 0.0 111.891 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.82 -48.6 75.13 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 125.195 1.559 . . . . 0.0 109.72 174.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -58.02 -33.56 69.08 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 118.527 -1.269 . . . . 0.0 112.691 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -63.03 -53.34 55.43 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 124.37 1.044 . . . . 0.0 109.785 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.23 -30.4 67.47 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 113.678 -1.601 . . . . 0.0 112.3 -170.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -86.7 -26.53 24.22 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 113.821 -1.536 . . . . 0.0 109.725 -175.568 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.357 0.911 0 CA-C-N 113.067 -1.879 . . . . 0.0 112.037 178.222 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 pttm . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -48.87 74.13 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 113.429 -1.714 . . . . 0.0 110.99 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.64 -17.08 60.11 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-N 112.502 -2.135 . . . . 0.0 110.834 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.0 mt -70.83 -41.48 77.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 C-N-CA 117.989 -1.484 . . . . 0.0 111.411 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.83 -18.1 63.43 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 117.965 -1.494 . . . . 0.0 112.385 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.45 -55.52 4.44 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 124.985 1.428 . . . . 0.0 109.925 -176.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.442 HD12 ' CD1' ' A' ' 23' ' ' TYR . 11.4 mt -49.71 -50.6 43.34 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 126.348 2.28 . . . . 0.0 109.187 174.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -63.77 -35.81 81.81 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.851 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.24 -19.76 65.92 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 124.762 1.289 . . . . 0.0 112.826 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.456 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 1.8 mp -77.28 4.82 9.75 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 124.262 0.976 . . . . 0.0 111.791 175.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.7 23.07 9.63 Favored Glycine 0 C--N 1.357 1.732 0 O-C-N 123.946 0.779 . . . . 0.0 112.719 176.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 6.6 m-30 -107.56 -146.33 0.4 Allowed 'General case' 0 C--N 1.357 0.923 0 O-C-N 125.191 1.171 . . . . 0.0 108.566 -173.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -163.42 142.11 8.08 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.385 1.053 . . . . 0.0 108.527 -176.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -45.69 -24.69 0.39 Allowed 'General case' 0 CA--C 1.555 1.137 0 O-C-N 126.137 2.148 . . . . 0.0 114.526 -173.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -52.9 7.14 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 123.67 0.607 . . . . 0.0 110.772 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.13 -15.73 63.49 Favored 'General case' 0 C--N 1.357 0.931 0 O-C-N 124.686 1.241 . . . . 0.0 111.365 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.93 -58.38 4.1 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.621 0 O-C-N 126.059 2.099 . . . . 0.0 109.994 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.5 mm -57.75 -49.91 79.29 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 O-C-N 125.604 1.815 . . . . 0.0 111.122 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -67.97 -29.27 68.27 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 125.4 1.688 . . . . 0.0 111.681 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -77.3 -18.91 57.13 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 124.527 1.142 . . . . 0.0 112.827 177.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.5 t80 -97.99 -27.36 14.28 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 125.352 1.657 . . . . 0.0 109.3 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.12 -39.14 14.8 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 124.209 0.943 . . . . 0.0 110.046 -175.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.04 -26.24 64.88 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 125.301 1.626 . . . . 0.0 110.592 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.475 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.3 m -83.5 4.74 26.63 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 113.757 -1.565 . . . . 0.0 113.046 175.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 57.01 61.97 2.4 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-O 122.195 0.997 . . . . 0.0 111.151 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm 29.21 60.38 0.15 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.691 2.396 . . . . 0.0 112.953 174.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -104.66 -142.71 0.37 Allowed 'General case' 0 C--N 1.356 0.848 0 CA-C-N 113.534 -1.667 . . . . 0.0 108.102 -171.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -140.5 -75.89 0.33 Allowed 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.861 0.726 . . . . 0.0 110.306 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -21.8 62.79 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 113.257 -1.792 . . . . 0.0 111.267 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.475 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -78.23 -48.35 15.98 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 125.421 1.701 . . . . 0.0 109.736 -178.732 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.414 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . . . -60.8 -45.27 95.07 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 113.533 -1.667 . . . . 0.0 111.695 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.07 -48.23 79.08 Favored 'General case' 0 C--O 1.209 -1.035 0 O-C-N 125.231 1.582 . . . . 0.0 109.8 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -55.65 -36.91 67.56 Favored 'General case' 0 C--O 1.204 -1.311 0 C-N-CA 117.951 -1.5 . . . . 0.0 112.915 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.427 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 7.6 t80 -59.56 -54.44 46.55 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 124.399 1.062 . . . . 0.0 110.916 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.33 -28.98 64.47 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 113.806 -1.543 . . . . 0.0 111.731 -170.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.446 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -85.09 -25.91 27.26 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 113.952 -1.476 . . . . 0.0 110.202 -176.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--N 1.355 0.839 0 CA-C-N 113.416 -1.72 . . . . 0.0 111.394 177.785 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.61 -44.45 82.07 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 124.812 1.32 . . . . 0.0 112.034 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.27 -14.33 60.12 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 113.256 -1.793 . . . . 0.0 111.005 176.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.0 mt -75.2 -27.13 19.34 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 C-N-CA 118.205 -1.398 . . . . 0.0 111.71 -175.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -84.01 -16.15 45.04 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 124.151 0.907 . . . . 0.0 111.268 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -55.16 4.15 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 124.751 1.282 . . . . 0.0 110.213 -177.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 23' ' ' TYR . 10.9 mt -51.57 -49.97 61.03 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 126.49 2.369 . . . . 0.0 108.92 172.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -60.17 -38.27 82.67 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.842 -1.072 . . . . 0.0 113.307 174.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.71 -19.44 65.9 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 124.378 1.049 . . . . 0.0 113.011 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.1 mp -76.92 3.99 10.91 Favored 'General case' 0 CA--C 1.559 1.321 0 O-C-N 124.178 0.924 . . . . 0.0 111.993 176.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.93 24.2 9.29 Favored Glycine 0 C--N 1.359 1.834 0 O-C-N 123.852 0.72 . . . . 0.0 112.756 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 7.7 m-30 -106.61 -144.79 0.38 Allowed 'General case' 0 C--N 1.357 0.932 0 O-C-N 125.186 1.168 . . . . 0.0 108.768 -174.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -162.47 139.79 8.16 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -176.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -47.64 -22.84 0.56 Allowed 'General case' 0 CA--C 1.556 1.18 0 O-C-N 125.603 1.814 . . . . 0.0 113.972 -173.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.43 -52.18 7.53 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.068 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -19.16 65.34 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 118.461 -1.296 . . . . 0.0 110.975 177.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -74.79 -59.45 3.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 C-N-CA 127.485 2.314 . . . . 0.0 110.508 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.8 mm -58.04 -47.16 87.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.35 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -71.06 -27.94 64.01 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 125.429 1.705 . . . . 0.0 111.669 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -76.68 -19.33 57.85 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 124.622 1.201 . . . . 0.0 112.575 175.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.431 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.2 t80 -97.45 -29.05 13.71 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 125.214 1.571 . . . . 0.0 108.832 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.21 -38.22 16.56 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 124.077 0.861 . . . . 0.0 110.181 -176.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.96 -26.04 64.84 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.584 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.99 10.55 13.8 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 113.617 -1.629 . . . . 0.0 112.835 174.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 55.36 58.02 4.96 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 122.418 1.104 . . . . 0.0 111.46 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt 31.76 60.36 0.31 Allowed 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 112.451 -2.159 . . . . 0.0 113.708 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -106.05 -147.69 0.4 Allowed 'General case' 0 C--N 1.361 1.096 0 CA-C-N 114.578 -1.192 . . . . 0.0 108.686 -172.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -134.28 -76.22 0.47 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-O 121.457 0.646 . . . . 0.0 110.671 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.46 -21.29 64.04 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 113.251 -1.795 . . . . 0.0 111.121 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -46.58 20.71 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 125.253 1.595 . . . . 0.0 109.924 -177.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.74 89.54 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.691 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.13 78.98 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.324 174.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -33.48 67.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 118.702 -1.199 . . . . 0.0 112.798 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.416 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 10.1 t80 -65.32 -50.91 63.84 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 124.441 1.088 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -73.28 -29.32 62.65 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 113.62 -1.627 . . . . 0.0 111.711 -171.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -85.59 -26.25 26.21 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 114.208 -1.36 . . . . 0.0 110.479 -175.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.355 0.825 0 CA-C-N 113.212 -1.813 . . . . 0.0 110.886 176.823 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.0 pttm . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -43.44 80.23 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 124.624 1.202 . . . . 0.0 111.479 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.35 -19.16 60.55 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.48 176.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.8 mt -69.96 -42.18 79.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.827 0 C-N-CA 118.257 -1.377 . . . . 0.0 111.212 -173.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.18 -17.7 63.83 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 119.353 -0.939 . . . . 0.0 112.506 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.17 -57.31 3.45 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.445 1.091 . . . . 0.0 110.428 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 mt -47.59 -50.36 24.29 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 127.666 2.386 . . . . 0.0 109.186 173.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -64.88 -36.42 84.29 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.396 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.79 -19.61 65.78 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.582 -1.19 . . . . 0.0 112.702 -177.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.449 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 1.9 mp -76.25 3.46 10.76 Favored 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.142 0.901 . . . . 0.0 111.674 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.06 23.58 8.5 Favored Glycine 0 C--N 1.358 1.753 0 O-C-N 123.675 0.609 . . . . 0.0 112.589 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 9.0 m-30 -108.01 -146.19 0.4 Allowed 'General case' 0 C--N 1.354 0.784 0 O-C-N 125.005 1.062 . . . . 0.0 108.244 -173.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -160.24 141.21 12.13 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -175.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.19 -27.65 0.43 Allowed 'General case' 0 CA--C 1.554 1.119 0 O-C-N 125.239 1.587 . . . . 0.0 114.764 -176.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.54 -50.63 10.43 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.244 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -20.52 64.91 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.485 1.116 . . . . 0.0 111.089 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.2 t -76.5 -55.77 10.11 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 126.944 2.098 . . . . 0.0 110.482 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.0 mm -62.12 -43.31 97.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 CA-C-N 113.365 -1.743 . . . . 0.0 110.669 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -74.74 -25.94 59.45 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 125.822 1.951 . . . . 0.0 111.332 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.79 -18.07 54.71 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.712 1.258 . . . . 0.0 112.318 174.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.424 ' CZ ' ' O ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -93.54 -40.23 10.42 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 124.901 1.375 . . . . 0.0 108.766 -179.726 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.44 -40.44 57.57 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 125.092 1.495 . . . . 0.0 110.247 -175.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.24 -26.17 64.65 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 124.697 1.248 . . . . 0.0 110.616 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.37 4.77 26.01 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.965 -1.47 . . . . 0.0 112.823 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 59.25 62.6 1.78 Allowed 'General case' 0 C--N 1.358 0.956 0 O-C-N 123.861 0.725 . . . . 0.0 110.244 -175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? 27.86 63.22 0.1 Allowed 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 113.811 -1.54 . . . . 0.0 113.77 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.424 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -109.8 -148.17 0.42 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-N 113.194 -1.821 . . . . 0.0 107.368 -174.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -142.98 -71.01 0.32 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.631 0.651 . . . . 0.0 110.196 -176.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -22.39 66.63 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.776 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.52 -43.32 23.32 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 124.903 1.377 . . . . 0.0 109.468 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.76 -47.29 85.85 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 113.476 -1.693 . . . . 0.0 111.689 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.67 -49.37 75.29 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 124.916 1.385 . . . . 0.0 109.672 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.23 -38.83 68.97 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 118.689 -1.204 . . . . 0.0 112.253 178.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -58.03 -56.59 20.08 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.039 0.837 . . . . 0.0 110.484 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.49 -29.28 67.86 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 125.319 1.637 . . . . 0.0 112.093 -170.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.42 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -86.82 -26.09 24.23 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 124.974 1.421 . . . . 0.0 109.713 -177.147 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.6 m . . . . . 0 C--N 1.358 0.939 0 CA-C-N 113.454 -1.703 . . . . 0.0 111.322 179.146 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -44.57 90.0 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 114.117 -1.401 . . . . 0.0 111.448 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.87 -15.29 61.16 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 113.426 -1.715 . . . . 0.0 110.639 177.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.2 mm -72.7 -41.89 62.28 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 C-N-CA 118.719 -1.192 . . . . 0.0 112.214 -170.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.91 -17.54 61.5 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 125.108 1.505 . . . . 0.0 111.614 175.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -54.49 5.89 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 124.913 1.383 . . . . 0.0 110.274 -178.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 23' ' ' TYR . 9.6 mt -57.02 -45.23 83.24 Favored 'General case' 0 CA--C 1.551 0.986 0 O-C-N 126.39 2.306 . . . . 0.0 108.123 176.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -37.8 86.08 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.82 174.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.53 -19.17 65.72 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.69 -174.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.449 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.2 mp -76.87 3.06 12.84 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 124.29 0.994 . . . . 0.0 111.976 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.94 23.51 8.6 Favored Glycine 0 C--N 1.359 1.817 0 O-C-N 123.882 0.739 . . . . 0.0 113.064 176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' HD21 ' A' ' 38' ' ' LEU . 7.6 m-30 -108.23 -147.16 0.41 Allowed 'General case' 0 C--N 1.359 1.002 0 O-C-N 124.922 1.013 . . . . 0.0 109.216 -172.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -155.94 136.44 13.22 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -46.34 -20.61 0.12 Allowed 'General case' 0 CA--C 1.56 1.332 0 O-C-N 125.588 1.805 . . . . 0.0 114.611 -175.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -80.31 -53.95 6.17 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.769 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.64 -22.31 66.64 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.464 178.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.02 -57.71 6.71 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 C-N-CA 127.869 2.468 . . . . 0.0 110.329 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.91 -49.21 79.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 125.042 1.463 . . . . 0.0 109.859 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -70.92 -24.32 62.43 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 125.747 1.904 . . . . 0.0 112.18 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.73 -11.78 59.57 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 124.286 0.991 . . . . 0.0 112.802 174.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.444 ' CD1' HD13 ' A' ' 9' ' ' LEU . 1.2 t80 -107.86 -24.38 11.68 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 124.929 1.393 . . . . 0.0 109.961 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.35 -42.12 11.74 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 124.433 1.083 . . . . 0.0 109.397 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.98 -25.94 62.93 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 113.907 -1.497 . . . . 0.0 111.128 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.408 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.1 m -81.34 2.13 29.66 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 113.981 -1.463 . . . . 0.0 112.728 175.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 59.25 61.21 2.12 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-O 122.212 1.006 . . . . 0.0 110.637 -176.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.0 60.69 0.32 Allowed 'General case' 0 C--N 1.35 0.607 0 CA-C-N 113.049 -1.887 . . . . 0.0 113.756 175.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -105.53 -148.91 0.41 Allowed 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.896 -1.956 . . . . 0.0 107.631 -173.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -141.88 -72.62 0.32 Allowed 'General case' 0 C--N 1.35 0.62 0 O-C-N 123.881 0.738 . . . . 0.0 110.035 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -21.94 66.25 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 113.667 -1.606 . . . . 0.0 110.788 178.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.408 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -80.63 -43.4 20.54 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 125.067 1.479 . . . . 0.0 109.583 -178.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.4 81.86 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 112.789 -2.005 . . . . 0.0 111.906 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.14 -48.34 80.55 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 124.89 1.369 . . . . 0.0 109.986 174.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.2 -33.48 65.36 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 118.669 -1.213 . . . . 0.0 113.196 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -62.06 -56.64 16.95 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 124.687 1.242 . . . . 0.0 109.931 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.33 -30.57 68.64 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 124.866 1.353 . . . . 0.0 112.765 -169.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.457 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -83.16 -25.87 31.45 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 113.811 -1.54 . . . . 0.0 110.176 -174.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 C--N 1.354 0.797 0 CA-C-N 113.298 -1.774 . . . . 0.0 112.208 178.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.08 -40.44 86.98 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.513 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.21 -19.15 58.65 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 112.832 -1.985 . . . . 0.0 110.718 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 mm -69.11 -45.79 79.26 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 C-N-CA 118.343 -1.343 . . . . 0.0 110.753 -174.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -68.54 -17.37 64.14 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 124.214 0.946 . . . . 0.0 113.153 175.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.16 -55.52 4.5 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 124.58 1.175 . . . . 0.0 109.941 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.451 HD12 ' CD2' ' A' ' 23' ' ' TYR . 9.3 mt -51.43 -49.06 62.39 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 127.081 2.152 . . . . 0.0 109.093 174.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -63.94 -35.53 80.98 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.548 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.82 -19.47 65.75 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 114.286 -1.325 . . . . 0.0 112.503 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.447 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 1.9 mp -77.4 4.88 9.87 Favored 'General case' 0 CA--C 1.56 1.353 0 O-C-N 124.089 0.868 . . . . 0.0 111.767 175.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.64 21.87 10.07 Favored Glycine 0 C--N 1.355 1.622 0 O-C-N 123.717 0.635 . . . . 0.0 112.668 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 7.7 m-30 -107.03 -147.37 0.41 Allowed 'General case' 0 CA--C 1.545 0.755 0 O-C-N 125.029 1.076 . . . . 0.0 108.337 -173.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -161.28 142.4 11.41 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 124.283 0.989 . . . . 0.0 108.374 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -24.7 0.4 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.864 1.666 . . . . 0.0 114.683 -174.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.57 -51.81 7.86 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.867 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -22.75 66.57 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 124.326 1.017 . . . . 0.0 111.225 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -74.68 -57.12 7.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 C-N-CA 128.413 2.685 . . . . 0.0 110.944 -178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 mt -55.31 -54.72 21.93 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 O-C-N 125.247 1.592 . . . . 0.0 109.697 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -62.29 -26.84 68.63 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 125.254 1.596 . . . . 0.0 112.366 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.68 -9.45 58.23 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 124.199 0.937 . . . . 0.0 113.424 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CD2' HD12 ' A' ' 9' ' ' LEU . 1.8 t80 -119.15 -3.44 10.6 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 124.591 1.182 . . . . 0.0 109.984 -178.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.2 -40.02 4.56 Favored 'General case' 0 C--N 1.346 0.425 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.04 -27.56 62.79 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 124.864 1.353 . . . . 0.0 110.513 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.429 ' HG ' ' HA ' ' A' ' 33' ' ' ALA . 1.3 m -79.91 1.81 25.78 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 114.144 -1.389 . . . . 0.0 112.905 175.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 58.71 61.48 2.18 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.133 0.895 . . . . 0.0 111.013 -176.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? 32.64 55.19 0.39 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-N 112.656 -2.065 . . . . 0.0 112.685 170.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -100.2 -142.03 0.33 Allowed 'General case' 0 C--N 1.35 0.615 0 CA-C-N 112.644 -2.071 . . . . 0.0 107.338 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -143.6 -78.56 0.22 Allowed 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.732 0.645 . . . . 0.0 109.517 -177.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.58 -21.74 65.84 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 114.059 -1.428 . . . . 0.0 111.343 176.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.17 -42.88 22.56 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 125.079 1.487 . . . . 0.0 109.644 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.435 ' CB ' ' CD2' ' A' ' 23' ' ' TYR . . . -66.06 -45.53 81.01 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.032 -1.894 . . . . 0.0 111.164 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.36 -49.39 72.39 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 125.49 1.743 . . . . 0.0 109.971 172.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -34.88 60.62 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 118.866 -1.134 . . . . 0.0 113.104 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.51 -54.8 38.53 Favored 'General case' 0 CA--C 1.55 0.976 0 O-C-N 124.295 0.997 . . . . 0.0 110.869 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mp -71.65 -28.96 64.11 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.679 -170.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.439 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.82 -26.89 31.28 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 125.171 1.544 . . . . 0.0 109.499 -177.182 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.354 0.802 0 CA-C-N 113.483 -1.69 . . . . 0.0 112.446 177.769 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -58.45 -56.34 23.4 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 113.942 -1.481 . . . . 0.0 111.211 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.47 -18.1 61.16 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 112.774 -2.012 . . . . 0.0 111.32 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.3 mt -65.42 -47.81 85.43 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 118.26 -1.376 . . . . 0.0 111.072 -174.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -68.52 -17.77 64.23 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 125.244 1.59 . . . . 0.0 112.128 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -53.08 6.87 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 125.172 1.545 . . . . 0.0 110.265 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.441 HD13 ' CD1' ' A' ' 23' ' ' TYR . 9.1 mt -55.75 -46.13 77.89 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 127.483 2.313 . . . . 0.0 108.341 174.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -35.82 82.03 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.564 -1.198 . . . . 0.0 112.777 175.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.34 -18.47 65.17 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.768 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.437 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.4 mp -77.46 4.24 11.51 Favored 'General case' 0 CA--C 1.558 1.277 0 O-C-N 124.207 0.942 . . . . 0.0 111.836 175.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.43 24.4 9.5 Favored Glycine 0 C--N 1.359 1.841 0 O-C-N 124.003 0.814 . . . . 0.0 112.972 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.441 ' CZ ' HD21 ' A' ' 38' ' ' LEU . 9.0 m-30 -107.25 -145.17 0.39 Allowed 'General case' 0 C--N 1.357 0.934 0 O-C-N 125.056 1.092 . . . . 0.0 109.241 -173.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -157.06 138.49 13.9 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.12 0.888 . . . . 0.0 109.09 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -45.51 -24.4 0.32 Allowed 'General case' 0 CA--C 1.558 1.284 0 O-C-N 125.842 1.964 . . . . 0.0 113.915 -175.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.1 -52.9 7.23 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.569 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.5 -22.43 66.73 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 118.955 -1.098 . . . . 0.0 110.734 177.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.05 -58.33 5.76 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 C-N-CA 127.688 2.395 . . . . 0.0 111.175 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.01 -48.96 80.82 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 O-C-N 125.506 1.754 . . . . 0.0 110.437 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -70.3 -24.17 62.98 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 125.566 1.791 . . . . 0.0 112.258 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.86 -10.81 58.66 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.535 1.147 . . . . 0.0 112.95 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CD1' HD13 ' A' ' 9' ' ' LEU . 1.3 t80 -108.49 -21.3 12.79 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 124.923 1.389 . . . . 0.0 110.135 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -92.01 -42.63 9.87 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.398 1.061 . . . . 0.0 108.989 -178.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.46 -25.89 62.49 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 114.012 -1.449 . . . . 0.0 111.227 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.424 ' HG ' ' HA ' ' A' ' 33' ' ' ALA . 1.2 m -80.7 0.51 34.13 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 114.018 -1.446 . . . . 0.0 112.829 175.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 57.5 67.41 0.98 Allowed 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.255 0.972 . . . . 0.0 110.919 -173.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 28.75 58.6 0.13 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 112.085 -2.325 . . . . 0.0 113.345 173.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.59 -162.14 0.82 Allowed 'General case' 0 C--N 1.35 0.601 0 CA-C-N 112.589 -2.096 . . . . 0.0 107.064 -175.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -129.81 -74.83 0.55 Allowed 'General case' 0 C--N 1.35 0.607 0 O-C-N 124.274 0.984 . . . . 0.0 109.344 -173.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -21.45 66.02 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.466 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -82.78 -41.22 19.41 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.992 1.432 . . . . 0.0 110.113 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HA ' ' HG ' ' A' ' 26' ' ' CYS . . . -60.97 -49.13 78.68 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 112.59 -2.095 . . . . 0.0 111.776 177.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.05 -48.28 78.93 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 124.973 1.421 . . . . 0.0 109.942 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -56.32 -34.61 66.71 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 118.311 -1.356 . . . . 0.0 113.107 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -60.27 -54.31 47.26 Favored 'General case' 0 CA--C 1.55 0.979 0 O-C-N 124.375 1.047 . . . . 0.0 110.701 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.25 -29.16 63.65 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 114.517 -1.22 . . . . 0.0 112.364 -171.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.78 -26.54 31.73 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.158 -1.383 . . . . 0.0 110.183 -176.003 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.7 t . . . . . 0 C--N 1.355 0.81 0 CA-C-N 113.16 -1.837 . . . . 0.0 111.82 179.154 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.408 ' HA ' ' CD1' ' A' ' 6' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -69.42 -39.02 78.13 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.68 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.41 -15.04 59.56 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 112.111 -2.313 . . . . 0.0 110.232 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 3' ' ' LYS . 41.2 mt -75.79 -22.59 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 118.916 -1.114 . . . . 0.0 112.145 -175.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -88.02 -16.1 34.59 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 124.059 0.85 . . . . 0.0 110.633 174.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.0 -54.98 4.3 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.858 1.349 . . . . 0.0 110.306 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 23' ' ' TYR . 10.0 mt -52.2 -49.75 63.28 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 126.445 2.34 . . . . 0.0 108.717 172.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -62.47 -35.65 79.99 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 119.054 -1.058 . . . . 0.0 113.103 175.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.59 -19.39 65.9 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 124.508 1.13 . . . . 0.0 112.812 -176.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.443 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.1 mp -76.91 4.12 10.58 Favored 'General case' 0 CA--C 1.56 1.342 0 O-C-N 124.196 0.935 . . . . 0.0 111.988 175.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.14 26.21 8.47 Favored Glycine 0 C--N 1.358 1.752 0 O-C-N 123.803 0.69 . . . . 0.0 112.675 176.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 9.2 m-30 -107.98 -145.16 0.39 Allowed 'General case' 0 C--N 1.358 0.954 0 O-C-N 125.124 1.132 . . . . 0.0 108.913 -173.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -159.9 140.66 12.18 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 -176.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -51.75 -19.32 1.58 Allowed 'General case' 0 CA--C 1.56 1.335 0 O-C-N 125.275 1.609 . . . . 0.0 113.696 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -52.85 7.17 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 120.329 -0.548 . . . . 0.0 111.032 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -20.65 66.09 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 124.768 1.292 . . . . 0.0 110.65 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.54 -57.9 5.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 C-N-CA 127.56 2.344 . . . . 0.0 111.067 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.1 mm -56.8 -51.06 72.18 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 O-C-N 125.521 1.763 . . . . 0.0 110.314 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -68.14 -23.28 64.86 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 125.754 1.909 . . . . 0.0 112.377 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.23 -15.22 44.29 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.537 1.148 . . . . 0.0 113.12 176.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.5 t80 -106.27 -14.87 14.99 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 125.004 1.44 . . . . 0.0 109.413 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -98.93 -38.94 8.81 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.82 -25.74 63.9 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 125.261 1.601 . . . . 0.0 110.765 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.425 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.3 m -84.11 5.87 24.46 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.93 -1.486 . . . . 0.0 112.851 175.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 59.36 55.07 4.38 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 122.154 0.978 . . . . 0.0 111.841 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? 31.86 52.91 0.24 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-N 112.94 -1.936 . . . . 0.0 113.144 173.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.6 -100.88 0.09 Allowed 'General case' 0 C--N 1.354 0.803 0 CA-C-N 111.896 -2.411 . . . . 0.0 107.31 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 170.4 -81.32 0.0 OUTLIER 'General case' 0 C--N 1.353 0.739 0 O-C-N 124.471 1.107 . . . . 0.0 109.068 -172.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.05 -23.02 66.22 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 113.836 -1.529 . . . . 0.0 110.641 179.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -76.94 -44.03 33.05 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 125.187 1.554 . . . . 0.0 109.599 179.504 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.46 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . . . -62.66 -46.04 90.05 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.16 -1.836 . . . . 0.0 111.887 -177.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.28 -48.32 68.42 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 125.221 1.576 . . . . 0.0 109.95 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -57.39 -35.41 69.98 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 118.443 -1.303 . . . . 0.0 113.087 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.0 -51.91 66.12 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 124.397 1.061 . . . . 0.0 110.409 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.6 -30.42 64.34 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.229 -1.35 . . . . 0.0 112.087 -169.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.419 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -84.1 -26.24 29.1 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-N 114.11 -1.405 . . . . 0.0 110.2 -175.347 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--N 1.357 0.894 0 CA-C-N 113.149 -1.842 . . . . 0.0 111.14 177.818 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.5 pttt . . . . . 0 CA--C 1.549 0.919 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -39.29 84.72 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.546 1.154 . . . . 0.0 111.202 178.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.32 -15.95 60.45 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 112.996 -1.911 . . . . 0.0 110.377 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.8 mm -75.18 -27.1 19.35 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 C-N-CA 118.662 -1.215 . . . . 0.0 111.989 -172.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -85.89 -15.91 40.24 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.173 0.921 . . . . 0.0 111.344 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -53.77 5.27 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.709 1.256 . . . . 0.0 109.81 -176.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.461 HD12 ' CD1' ' A' ' 23' ' ' TYR . 11.6 mt -56.39 -48.31 77.15 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 126.508 2.38 . . . . 0.0 108.604 175.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -61.64 -35.26 77.42 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.99 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.08 -18.83 65.5 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.455 1.097 . . . . 0.0 112.838 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.445 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.0 mp -77.17 5.34 8.53 Favored 'General case' 0 CA--C 1.557 1.241 0 O-C-N 124.169 0.918 . . . . 0.0 111.654 175.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.43 31.61 7.07 Favored Glycine 0 C--N 1.358 1.779 0 O-C-N 123.939 0.775 . . . . 0.0 112.288 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 10.6 m-30 -112.22 -145.36 0.4 Allowed 'General case' 0 C--N 1.359 1.02 0 O-C-N 125.424 1.308 . . . . 0.0 108.956 -175.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -160.11 141.34 12.41 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 -176.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -50.55 -20.07 1.07 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 125.143 1.527 . . . . 0.0 114.225 -175.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -53.82 6.33 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.913 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -20.99 66.41 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 124.596 1.185 . . . . 0.0 110.953 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -75.8 -59.18 3.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 C-N-CA 128.141 2.576 . . . . 0.0 110.91 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.0 mm -56.12 -47.66 80.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 O-C-N 125.197 1.561 . . . . 0.0 110.142 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -72.46 -25.87 61.6 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 125.583 1.802 . . . . 0.0 112.325 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.87 -16.09 57.51 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.363 1.04 . . . . 0.0 112.743 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.461 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.3 t80 -101.01 -29.78 11.99 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 124.913 1.383 . . . . 0.0 108.69 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -85.16 -39.99 17.22 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 124.332 1.02 . . . . 0.0 110.148 -176.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.59 -25.76 64.13 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 114.104 -1.407 . . . . 0.0 110.741 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.3 m -83.19 4.29 27.34 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.835 -1.529 . . . . 0.0 113.059 176.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 57.19 61.65 2.48 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 122.362 1.077 . . . . 0.0 111.311 -175.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm 30.64 58.19 0.22 Allowed 'General case' 0 C--N 1.354 0.767 0 C-N-CA 127.925 2.49 . . . . 0.0 112.938 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.0 -138.72 0.35 Allowed 'General case' 0 C--N 1.356 0.885 0 CA-C-N 113.355 -1.748 . . . . 0.0 108.793 -170.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.54 -70.88 0.19 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 119.161 -1.016 . . . . 0.0 109.658 -176.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -66.72 -21.26 66.08 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 112.73 -2.032 . . . . 0.0 110.728 176.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.42 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -80.05 -44.52 19.94 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 125.051 1.469 . . . . 0.0 109.729 -179.171 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.05 -47.52 84.32 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.846 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.76 -48.82 76.99 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 125.201 1.563 . . . . 0.0 109.706 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -58.35 -33.22 69.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 118.364 -1.334 . . . . 0.0 112.722 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -62.25 -53.57 53.28 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 124.267 0.979 . . . . 0.0 110.028 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.45 -28.94 64.31 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 113.449 -1.705 . . . . 0.0 111.857 -170.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -86.43 -26.1 24.89 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 125.021 1.451 . . . . 0.0 110.13 -176.285 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 C--N 1.356 0.89 0 CA-C-N 113.637 -1.619 . . . . 0.0 111.823 178.132 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.869 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.72 -41.87 87.21 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.861 1.35 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.38 -15.61 60.45 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 112.778 -2.01 . . . . 0.0 110.66 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.5 mm -77.11 -23.57 14.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 C-N-CA 118.629 -1.228 . . . . 0.0 112.3 -172.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -89.84 -15.5 32.11 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 124.377 1.048 . . . . 0.0 110.89 173.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -53.42 5.59 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 124.71 1.256 . . . . 0.0 109.793 -176.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 23' ' ' TYR . 11.6 mt -58.26 -47.77 82.54 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 126.529 2.393 . . . . 0.0 108.543 175.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -62.41 -33.75 75.39 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 119.343 -0.943 . . . . 0.0 112.686 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.07 -19.2 65.77 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 124.149 0.906 . . . . 0.0 112.601 -175.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.4 mp -77.7 4.37 11.72 Favored 'General case' 0 CA--C 1.561 1.384 0 O-C-N 124.144 0.902 . . . . 0.0 111.839 175.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.06 27.22 7.92 Favored Glycine 0 C--N 1.357 1.709 0 O-C-N 123.636 0.585 . . . . 0.0 112.858 175.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 10.7 m-30 -109.49 -145.11 0.39 Allowed 'General case' 0 CA--C 1.548 0.888 0 O-C-N 124.873 0.984 . . . . 0.0 108.77 -172.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -158.9 140.94 13.76 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -52.7 -17.86 1.53 Allowed 'General case' 0 CA--C 1.56 1.332 0 O-C-N 125.216 1.572 . . . . 0.0 113.714 -174.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.56 -53.97 6.09 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.968 177.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -21.95 66.7 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 124.449 1.093 . . . . 0.0 111.162 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -74.9 -59.74 3.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 C-N-CA 127.93 2.492 . . . . 0.0 110.864 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mm -55.58 -46.34 79.12 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 O-C-N 125.136 1.522 . . . . 0.0 110.422 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -72.04 -29.21 63.94 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 125.962 2.038 . . . . 0.0 112.048 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.54 -16.79 59.53 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 124.12 0.888 . . . . 0.0 112.486 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.1 t80 -98.4 -39.76 8.62 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 124.863 1.352 . . . . 0.0 108.381 -177.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -74.11 -41.51 61.52 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 125.052 1.47 . . . . 0.0 110.799 -177.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.68 -25.09 63.72 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.607 1.192 . . . . 0.0 110.583 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -84.04 4.52 29.66 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 114.16 -1.382 . . . . 0.0 113.099 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 61.28 59.21 1.99 Allowed 'General case' 0 C--N 1.359 0.983 0 CA-C-O 122.148 0.975 . . . . 0.0 110.383 -176.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.99 50.97 0.37 Allowed 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 113.244 -1.798 . . . . 0.0 114.101 175.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -96.61 -144.08 0.28 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 113.207 -1.815 . . . . 0.0 108.194 -172.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -146.13 -72.85 0.23 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-O 121.495 0.664 . . . . 0.0 109.534 -177.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.78 -23.19 67.1 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.13 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.48 -43.34 23.38 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 124.859 1.349 . . . . 0.0 109.26 -178.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.02 -47.49 84.52 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 113.462 -1.699 . . . . 0.0 111.633 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.88 -49.61 72.9 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 124.987 1.43 . . . . 0.0 109.624 175.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -56.41 -36.74 69.28 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 118.382 -1.327 . . . . 0.0 112.94 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.94 -53.34 59.05 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 124.138 0.899 . . . . 0.0 110.592 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.83 -28.75 64.85 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 113.741 -1.572 . . . . 0.0 111.75 -170.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -87.45 -24.8 24.03 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 124.97 1.419 . . . . 0.0 109.955 -176.746 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.354 0.776 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.901 178.78 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.496 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -49.73 61.54 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 113.724 -1.58 . . . . 0.0 109.861 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.1 -18.72 63.26 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 113.148 -1.842 . . . . 0.0 110.913 176.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 mt -69.37 -45.56 78.58 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 C-N-CA 118.828 -1.149 . . . . 0.0 111.056 -175.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -66.99 -18.96 65.63 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 119.14 -1.024 . . . . 0.0 112.353 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -57.59 3.53 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 124.729 1.268 . . . . 0.0 110.256 -177.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.412 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 8.2 mt -47.39 -50.63 22.0 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 127.262 2.225 . . . . 0.0 109.329 173.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -63.62 -36.61 84.37 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.57 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.74 -19.7 65.81 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.222 -1.353 . . . . 0.0 112.717 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.431 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.3 mp -77.44 4.72 10.32 Favored 'General case' 0 CA--C 1.561 1.379 0 O-C-N 124.137 0.898 . . . . 0.0 111.689 175.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.18 22.42 9.92 Favored Glycine 0 C--N 1.359 1.827 0 O-C-N 123.772 0.67 . . . . 0.0 112.749 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 7.1 m-30 -106.63 -145.3 0.39 Allowed 'General case' 0 C--N 1.358 0.954 0 O-C-N 124.983 1.049 . . . . 0.0 108.719 -173.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -162.47 141.06 8.89 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -46.01 -25.96 0.65 Allowed 'General case' 0 CA--C 1.556 1.193 0 O-C-N 125.3 1.625 . . . . 0.0 114.539 -175.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.15 -51.72 8.64 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.849 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -18.01 64.87 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 118.695 -1.202 . . . . 0.0 110.878 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.5 t -78.98 -58.44 4.01 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 C-N-CA 126.824 2.05 . . . . 0.0 110.498 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.2 mm -60.07 -48.47 87.8 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 O-C-N 125.49 1.744 . . . . 0.0 110.552 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -25.6 65.87 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 125.824 1.953 . . . . 0.0 111.769 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.58 -19.28 38.79 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.559 1.162 . . . . 0.0 112.474 176.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.455 ' CD1' ' CB ' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -96.35 -22.56 17.11 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 124.908 1.38 . . . . 0.0 109.034 -179.299 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.3 -36.24 12.06 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 123.82 0.7 . . . . 0.0 109.537 -177.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.2 -26.69 64.0 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 124.855 1.347 . . . . 0.0 110.808 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -84.45 5.31 27.85 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 124.895 1.372 . . . . 0.0 112.657 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 56.32 60.02 3.37 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.871 0.843 . . . . 0.0 111.503 -175.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? 27.49 54.79 0.07 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 127.837 2.455 . . . . 0.0 113.176 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.59 -27.21 14.12 Favored 'General case' 0 C--N 1.36 1.054 0 CA-C-N 113.49 -1.686 . . . . 0.0 111.752 -168.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 91.28 -65.52 0.01 OUTLIER 'General case' 0 C--N 1.351 0.66 0 O-C-N 125.893 1.996 . . . . 0.0 111.513 171.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.9 -23.33 66.61 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.621 -1.627 . . . . 0.0 111.114 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.97 -34.83 17.94 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.977 1.423 . . . . 0.0 109.172 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.455 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . . . -63.28 -44.5 94.9 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 113.492 -1.685 . . . . 0.0 111.608 -177.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.43 -48.02 75.07 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 125.091 1.494 . . . . 0.0 109.658 174.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -57.28 -33.9 68.12 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.903 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -60.22 -56.15 25.09 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.572 1.17 . . . . 0.0 109.92 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.27 -31.33 68.64 Favored 'General case' 0 CA--C 1.552 1.039 0 O-C-N 124.644 1.215 . . . . 0.0 112.161 -169.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.413 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.19 -24.56 34.88 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 124.995 1.434 . . . . 0.0 110.006 -176.058 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--N 1.355 0.833 0 CA-C-N 113.407 -1.724 . . . . 0.0 111.825 176.137 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.12 -38.9 92.14 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.714 -1.584 . . . . 0.0 111.718 174.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.76 -15.85 60.21 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 113.717 -1.583 . . . . 0.0 110.698 176.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.8 mm -75.84 -25.32 17.17 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 C-N-CA 118.192 -1.403 . . . . 0.0 112.174 -173.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -88.5 -14.3 38.16 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.526 1.141 . . . . 0.0 111.153 174.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -53.24 5.21 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.747 1.279 . . . . 0.0 109.947 -177.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 23' ' ' TYR . 11.9 mt -56.28 -48.0 77.5 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 126.477 2.361 . . . . 0.0 108.568 174.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -61.42 -36.58 80.74 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.681 -1.145 . . . . 0.0 113.203 174.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.1 -18.89 65.64 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 124.393 1.058 . . . . 0.0 112.802 -175.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.45 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 1.9 mp -77.21 4.65 10.02 Favored 'General case' 0 CA--C 1.559 1.291 0 O-C-N 124.253 0.97 . . . . 0.0 111.967 176.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.65 26.51 8.54 Favored Glycine 0 C--N 1.358 1.792 0 O-C-N 123.844 0.715 . . . . 0.0 112.673 176.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 9.4 m-30 -109.54 -146.08 0.4 Allowed 'General case' 0 C--N 1.358 0.951 0 O-C-N 125.112 1.125 . . . . 0.0 108.876 -173.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -159.76 140.99 12.62 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -176.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -49.49 -19.68 0.6 Allowed 'General case' 0 CA--C 1.556 1.182 0 O-C-N 125.72 1.887 . . . . 0.0 114.197 -174.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.91 -53.9 5.77 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -21.27 66.75 Favored 'General case' 0 C--N 1.36 1.041 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 178.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -73.55 -58.68 4.4 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 C-N-CA 127.969 2.508 . . . . 0.0 111.265 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.1 mm -56.84 -49.27 79.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 125.215 1.572 . . . . 0.0 110.189 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -66.87 -28.12 68.07 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 125.941 2.025 . . . . 0.0 112.402 177.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.41 -12.83 59.52 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.246 0.966 . . . . 0.0 113.222 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.463 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.4 t80 -105.48 -25.68 12.23 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 125.027 1.455 . . . . 0.0 109.487 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.62 -42.85 12.4 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.546 1.154 . . . . 0.0 109.418 -177.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.92 -26.16 63.08 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 113.702 -1.59 . . . . 0.0 110.974 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.3 5.38 20.32 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 113.769 -1.56 . . . . 0.0 112.596 174.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 54.95 63.7 2.04 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.624 0.726 . . . . 0.0 111.216 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.44 63.31 0.18 Allowed 'General case' 0 C--N 1.352 0.68 0 CA-C-N 112.94 -1.936 . . . . 0.0 113.17 175.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.4 -171.32 1.86 Allowed 'General case' 0 C--N 1.349 0.566 0 CA-C-N 112.698 -2.047 . . . . 0.0 107.69 -177.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -119.67 -73.3 0.65 Allowed 'General case' 0 C--N 1.349 0.563 0 O-C-N 124.328 1.018 . . . . 0.0 110.006 -174.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -62.24 -21.51 65.22 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.657 -1.61 . . . . 0.0 111.071 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -43.92 21.27 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 125.16 1.538 . . . . 0.0 109.584 -177.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.44 85.98 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 113.235 -1.802 . . . . 0.0 111.921 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.84 -48.78 77.26 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 125.035 1.459 . . . . 0.0 110.081 174.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.3 -32.96 67.18 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 118.397 -1.321 . . . . 0.0 112.614 178.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -66.02 -47.79 73.26 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 124.18 0.925 . . . . 0.0 110.736 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -79.87 -20.13 46.62 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.539 -170.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -92.8 -27.53 17.12 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 125.15 1.531 . . . . 0.0 109.42 -178.575 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--N 1.357 0.918 0 CA-C-N 113.119 -1.855 . . . . 0.0 111.48 -179.468 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -44.34 93.91 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 113.249 -1.796 . . . . 0.0 111.837 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.98 -14.87 60.23 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 113.364 -1.744 . . . . 0.0 111.335 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.7 mt -76.59 -21.53 15.0 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 117.643 -1.623 . . . . 0.0 111.636 -174.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -89.36 -15.69 32.74 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.102 0.876 . . . . 0.0 110.747 174.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -54.09 4.75 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.722 1.264 . . . . 0.0 109.502 -176.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' A' ' 23' ' ' TYR . 9.8 mt -54.91 -47.76 73.93 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 126.359 2.287 . . . . 0.0 108.649 173.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -64.3 -34.11 77.38 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 118.741 -1.184 . . . . 0.0 112.953 174.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.2 -19.19 65.86 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 124.175 0.922 . . . . 0.0 112.771 -176.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.446 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.1 mp -77.22 4.95 9.33 Favored 'General case' 0 CA--C 1.558 1.28 0 O-C-N 124.216 0.948 . . . . 0.0 112.08 176.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.41 27.15 9.41 Favored Glycine 0 C--N 1.356 1.662 0 O-C-N 123.71 0.631 . . . . 0.0 112.385 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 10.7 m-30 -108.12 -144.09 0.38 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -173.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -161.5 140.49 9.89 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -50.49 -20.12 1.06 Allowed 'General case' 0 CA--C 1.552 1.049 0 O-C-N 125.804 1.94 . . . . 0.0 113.806 -172.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -80.83 -56.21 4.28 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.592 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -20.31 64.59 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 118.576 -1.25 . . . . 0.0 111.813 178.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -73.61 -61.39 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.5 0 O-C-N 126.158 2.161 . . . . 0.0 110.932 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.3 mm -56.32 -49.52 76.27 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 O-C-N 125.292 1.62 . . . . 0.0 110.108 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -65.75 -26.45 67.73 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 126.058 2.099 . . . . 0.0 112.061 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.37 -11.66 55.9 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.108 0.88 . . . . 0.0 113.17 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.472 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.3 t80 -106.4 -16.6 14.51 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 124.583 1.177 . . . . 0.0 109.336 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.55 -41.06 7.12 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 124.282 0.989 . . . . 0.0 109.105 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.33 -25.62 62.48 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.712 1.257 . . . . 0.0 110.942 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.428 ' HG ' ' HA ' ' A' ' 33' ' ' ALA . 1.2 m -84.03 4.75 28.6 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 114.058 -1.428 . . . . 0.0 112.506 174.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 55.78 60.53 3.23 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 124.239 0.962 . . . . 0.0 110.722 -176.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.47 53.19 0.05 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.561 1.544 . . . . 0.0 113.886 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.81 -25.56 16.58 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.485 -1.688 . . . . 0.0 111.411 -171.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 87.91 -67.75 0.02 OUTLIER 'General case' 0 C--N 1.354 0.789 0 O-C-N 126.086 2.116 . . . . 0.0 110.728 173.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -22.8 66.9 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 113.742 -1.572 . . . . 0.0 111.106 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.77 -31.23 18.48 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 125.04 1.462 . . . . 0.0 109.296 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HA ' ' HG ' ' A' ' 26' ' ' CYS . . . -64.71 -44.12 91.26 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 113.623 -1.626 . . . . 0.0 111.88 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.25 76.86 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 125.01 1.444 . . . . 0.0 109.531 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -56.2 -37.18 69.28 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 118.762 -1.175 . . . . 0.0 112.67 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -60.61 -50.08 74.94 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 121.707 0.765 . . . . 0.0 111.144 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -73.4 -29.38 62.56 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.76 -1.564 . . . . 0.0 111.713 -170.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -88.49 -23.85 23.12 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 125.142 1.526 . . . . 0.0 109.799 -175.594 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.354 0.774 0 CA-C-N 113.453 -1.703 . . . . 0.0 111.171 178.073 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.408 ' HA ' ' CD1' ' A' ' 6' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.3 -42.17 75.8 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 124.753 1.283 . . . . 0.0 111.915 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.28 -16.49 59.78 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 112.981 -1.918 . . . . 0.0 110.187 176.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 3' ' ' LYS . 34.1 mt -71.8 -43.46 69.41 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.786 -173.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -69.25 -17.15 63.73 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.947 0.78 . . . . 0.0 112.537 176.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -56.79 3.75 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.583 1.177 . . . . 0.0 110.165 179.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.41 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 8.9 mt -49.48 -50.38 41.63 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 126.931 2.092 . . . . 0.0 109.393 174.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -63.88 -35.82 81.92 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.599 177.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.54 -19.62 65.82 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.69 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.0 mp -77.4 4.87 9.89 Favored 'General case' 0 CA--C 1.56 1.337 0 O-C-N 124.081 0.863 . . . . 0.0 111.803 175.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.68 23.27 9.51 Favored Glycine 0 C--N 1.358 1.765 0 O-C-N 123.807 0.692 . . . . 0.0 112.706 176.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.448 ' CZ ' HD21 ' A' ' 38' ' ' LEU . 7.5 m-30 -107.11 -146.02 0.39 Allowed 'General case' 0 C--N 1.357 0.914 0 O-C-N 125.118 1.128 . . . . 0.0 108.608 -173.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -161.23 140.55 10.3 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -176.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -44.16 -26.51 0.31 Allowed 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.239 1.816 . . . . 0.0 114.782 -176.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.48 -50.7 8.56 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.732 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -19.24 65.62 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 118.787 -1.165 . . . . 0.0 110.626 177.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -77.67 -58.35 4.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 C-N-CA 126.979 2.112 . . . . 0.0 110.547 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.9 mm -59.39 -46.82 92.32 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.534 0 O-C-N 125.567 1.792 . . . . 0.0 110.841 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -68.7 -30.06 68.63 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 125.652 1.845 . . . . 0.0 111.577 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.83 -17.85 56.96 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 124.482 1.114 . . . . 0.0 112.608 176.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.402 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.3 t80 -96.82 -28.41 14.26 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 125.219 1.575 . . . . 0.0 108.72 -178.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.93 -38.72 15.34 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 124.036 0.835 . . . . 0.0 110.143 -175.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.47 -26.4 64.55 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 113.655 -1.612 . . . . 0.0 110.57 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -83.47 4.12 29.19 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 114.085 -1.416 . . . . 0.0 113.035 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 60.39 59.47 2.26 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 122.534 1.159 . . . . 0.0 110.827 -175.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt 32.7 56.1 0.41 Allowed 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 112.604 -2.089 . . . . 0.0 113.393 174.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.28 -156.09 0.55 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 113.79 -1.55 . . . . 0.0 107.931 -172.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -128.33 -79.45 0.57 Allowed 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.538 0.524 . . . . 0.0 109.968 -176.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -62.96 -20.32 65.13 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 113.96 -1.473 . . . . 0.0 111.223 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 tp -79.44 -45.49 19.32 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 125.282 1.613 . . . . 0.0 110.092 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.21 -50.96 72.04 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 112.601 -2.091 . . . . 0.0 111.383 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.8 -49.69 67.77 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 125.203 1.564 . . . . 0.0 110.169 175.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -54.85 -34.23 62.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 119.188 -1.005 . . . . 0.0 113.307 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -58.89 -57.99 10.62 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 124.698 1.249 . . . . 0.0 109.821 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mp -69.16 -31.36 69.95 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.895 1.372 . . . . 0.0 112.437 -169.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.448 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -79.09 -25.63 43.02 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 113.975 -1.466 . . . . 0.0 110.198 -175.215 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.4 t . . . . . 0 C--N 1.352 0.693 0 CA-C-N 112.959 -1.928 . . . . 0.0 112.366 177.165 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -51.61 67.56 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 125.08 1.488 . . . . 0.0 112.209 176.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.43 -19.37 60.98 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.194 -1.821 . . . . 0.0 110.326 175.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.8 mt -67.84 -41.85 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 118.777 -1.169 . . . . 0.0 112.137 -175.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -71.34 -17.75 62.42 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.999 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -55.84 4.43 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 124.82 1.325 . . . . 0.0 110.124 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.401 HD12 ' CD1' ' A' ' 23' ' ' TYR . 12.0 mt -48.23 -50.23 30.23 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.407 2.283 . . . . 0.0 108.985 174.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -65.9 -35.79 81.6 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.763 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.5 -19.32 65.76 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 114.501 -1.227 . . . . 0.0 112.878 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.432 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 1.8 mp -75.92 3.3 10.44 Favored 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.144 0.902 . . . . 0.0 111.771 175.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.97 24.18 8.73 Favored Glycine 0 C--N 1.36 1.863 0 O-C-N 123.82 0.7 . . . . 0.0 112.565 176.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 9.5 m-30 -109.21 -145.91 0.4 Allowed 'General case' 0 C--N 1.357 0.919 0 O-C-N 125.244 1.203 . . . . 0.0 108.408 -173.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -163.46 140.8 7.42 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 124.255 0.972 . . . . 0.0 108.579 -174.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -39.4 -30.03 0.06 Allowed 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 127.73 2.412 . . . . 0.0 114.853 -176.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -51.58 8.43 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.236 -178.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -22.3 66.27 Favored 'General case' 0 C--N 1.358 0.96 0 O-C-N 124.488 1.118 . . . . 0.0 110.719 178.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -73.93 -56.55 8.93 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 C-N-CA 127.34 2.256 . . . . 0.0 111.062 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.2 mm -59.67 -46.74 93.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 125.578 1.798 . . . . 0.0 110.647 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -70.12 -29.2 66.08 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 125.755 1.91 . . . . 0.0 111.096 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' CB ' ' HG ' ' A' ' 37' ' ' LEU . . . -78.85 -13.15 59.96 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.279 0.987 . . . . 0.0 113.264 175.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.401 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.6 t80 -102.13 -28.87 12.07 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 124.864 1.353 . . . . 0.0 108.92 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.43 -40.29 14.5 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 124.16 0.913 . . . . 0.0 109.937 -174.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.5 -26.35 63.56 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 113.68 -1.6 . . . . 0.0 110.78 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.452 ' HG ' ' HA ' ' A' ' 33' ' ' ALA . 1.3 m -81.87 4.21 23.23 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.773 -1.558 . . . . 0.0 112.915 174.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 58.29 60.93 2.45 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 122.388 1.09 . . . . 0.0 111.087 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm 30.37 57.21 0.2 Allowed 'General case' 0 C--N 1.354 0.784 0 C-N-CA 128.174 2.59 . . . . 0.0 113.028 174.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -104.95 -149.15 0.41 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.466 -1.697 . . . . 0.0 107.979 -171.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -135.46 -77.14 0.44 Allowed 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.384 0.612 . . . . 0.0 109.991 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -21.3 65.12 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.544 -1.662 . . . . 0.0 111.335 177.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -80.26 -43.63 21.03 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 125.047 1.467 . . . . 0.0 110.22 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.452 ' HA ' ' HG ' ' A' ' 26' ' ' CYS . . . -61.28 -48.01 83.37 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 112.662 -2.063 . . . . 0.0 111.753 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.38 -47.58 81.3 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 125.324 1.64 . . . . 0.0 109.617 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -57.72 -33.75 68.75 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 118.754 -1.178 . . . . 0.0 112.609 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.442 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 8.0 t80 -60.31 -56.27 23.47 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.398 1.061 . . . . 0.0 109.917 176.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.416 ' HG ' ' CB ' ' A' ' 22' ' ' ALA . 1.1 mp -69.0 -29.54 67.76 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.917 1.385 . . . . 0.0 112.587 -170.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.413 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -86.69 -25.26 24.88 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.657 -175.403 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.358 0.965 0 CA-C-N 112.952 -1.931 . . . . 0.0 112.132 179.844 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? . . . . . 0 CA--C 1.544 0.731 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -35.78 78.42 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 113.996 -1.456 . . . . 0.0 111.377 177.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.31 -15.74 60.47 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 112.942 -1.935 . . . . 0.0 110.845 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.5 mm -72.92 -27.93 25.81 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 C-N-CA 118.545 -1.262 . . . . 0.0 112.01 -176.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.98 -14.97 45.84 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.932 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.3 -54.69 4.29 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 125.016 1.447 . . . . 0.0 110.121 -177.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.44 HD12 ' CD1' ' A' ' 23' ' ' TYR . 9.7 mt -52.76 -50.17 64.05 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 126.134 2.146 . . . . 0.0 109.324 174.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -63.5 -34.18 77.22 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.16 -19.68 65.91 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 124.688 1.243 . . . . 0.0 112.719 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 1.8 mp -77.23 4.96 9.34 Favored 'General case' 0 CA--C 1.557 1.25 0 O-C-N 124.161 0.913 . . . . 0.0 111.97 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.95 13.94 24.11 Favored Glycine 0 C--N 1.359 1.844 0 O-C-N 124.039 0.837 . . . . 0.0 112.836 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 6.0 m-30 -99.46 -147.48 0.34 Allowed 'General case' 0 C--N 1.353 0.723 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -171.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -160.01 140.32 11.77 Favored 'General case' 0 C--N 1.347 0.473 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -176.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -43.38 -25.37 0.14 Allowed 'General case' 0 CA--C 1.555 1.147 0 O-C-N 125.962 2.039 . . . . 0.0 114.492 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.84 -53.15 6.73 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.04 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.22 -19.16 65.5 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 124.564 1.165 . . . . 0.0 111.492 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.6 -56.86 6.71 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 C-N-CA 128.277 2.631 . . . . 0.0 110.613 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.3 mm -58.01 -51.85 65.64 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 O-C-N 125.071 1.482 . . . . 0.0 109.806 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.24 -25.55 66.95 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 125.852 1.97 . . . . 0.0 112.415 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -80.93 -17.16 51.46 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 176.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CD1' ' CB ' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -101.69 -22.27 14.47 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 124.929 1.393 . . . . 0.0 109.421 -178.5 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -93.24 -38.25 11.63 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 123.87 0.731 . . . . 0.0 109.899 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.49 -26.48 63.63 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 124.913 1.383 . . . . 0.0 111.031 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -82.97 4.3 26.46 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.435 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 56.77 59.0 3.73 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 122.015 0.912 . . . . 0.0 111.696 -175.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm 30.86 51.21 0.11 Allowed 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 112.593 -2.094 . . . . 0.0 113.445 173.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.59 -26.69 15.67 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 113.302 -1.772 . . . . 0.0 111.334 -169.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 89.83 -67.7 0.01 OUTLIER 'General case' 0 C--N 1.353 0.735 0 O-C-N 125.569 1.793 . . . . 0.0 111.696 173.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -22.93 67.09 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.035 -1.893 . . . . 0.0 110.987 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -33.57 18.43 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 125.03 1.456 . . . . 0.0 109.434 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.469 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . . . -64.43 -43.59 93.85 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 113.602 -1.635 . . . . 0.0 111.627 -178.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.93 -47.29 80.98 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 113.965 -1.47 . . . . 0.0 109.83 173.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -56.99 -35.23 68.95 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 118.637 -1.225 . . . . 0.0 112.834 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.401 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 6.5 t80 -62.0 -51.83 66.47 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 124.044 0.84 . . . . 0.0 110.871 178.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.66 -29.07 63.12 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 113.496 -1.684 . . . . 0.0 111.937 -170.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -87.88 -25.54 23.21 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.112 -1.404 . . . . 0.0 110.496 -175.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 C--N 1.355 0.83 0 CA-C-N 113.076 -1.874 . . . . 0.0 111.164 177.135 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.543 0.699 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -45.58 78.16 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 113.796 -1.547 . . . . 0.0 111.034 -178.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.16 -20.03 57.93 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 112.458 -2.156 . . . . 0.0 110.331 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.8 -41.93 85.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 118.415 -1.314 . . . . 0.0 111.087 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.96 -17.67 62.65 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 119.865 -0.734 . . . . 0.0 112.868 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -55.66 4.45 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.606 1.191 . . . . 0.0 110.053 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.451 HD12 ' CD1' ' A' ' 23' ' ' TYR . 10.1 mt -50.0 -49.66 49.91 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.376 2.27 . . . . 0.0 109.107 174.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -64.42 -35.2 80.14 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.742 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.77 -19.23 65.71 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.809 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.456 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.1 mp -77.89 5.11 10.33 Favored 'General case' 0 CA--C 1.562 1.408 0 O-C-N 124.143 0.902 . . . . 0.0 111.83 175.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.17 24.99 8.57 Favored Glycine 0 C--N 1.359 1.858 0 O-C-N 123.646 0.591 . . . . 0.0 112.868 175.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 9.0 m-30 -109.46 -145.98 0.4 Allowed 'General case' 0 C--N 1.357 0.904 0 O-C-N 125.019 1.07 . . . . 0.0 108.584 -173.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -162.61 141.21 8.76 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 124.209 0.943 . . . . 0.0 108.872 -175.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -45.49 -25.78 0.48 Allowed 'General case' 0 CA--C 1.555 1.152 0 O-C-N 125.687 1.867 . . . . 0.0 114.619 -172.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -78.68 -53.52 7.06 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.917 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -21.89 66.01 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 124.413 1.071 . . . . 0.0 111.443 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -72.12 -57.92 6.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 C-N-CA 127.828 2.451 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.1 mt -56.61 -51.68 62.93 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 O-C-N 125.381 1.676 . . . . 0.0 110.288 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -65.4 -25.76 67.69 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 125.529 1.768 . . . . 0.0 112.312 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.47 -15.5 54.83 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 124.418 1.074 . . . . 0.0 112.517 177.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.5 t80 -103.21 -29.01 11.56 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 125.001 1.438 . . . . 0.0 109.5 -178.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.91 -42.57 12.41 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 124.799 1.312 . . . . 0.0 109.526 -172.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.88 -25.85 62.98 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 113.392 -1.731 . . . . 0.0 110.535 175.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.451 ' HG ' ' HA ' ' A' ' 33' ' ' ALA . 1.3 m -78.15 -0.93 30.22 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 113.569 -1.651 . . . . 0.0 113.26 174.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 63.12 61.06 1.12 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-O 122.051 0.929 . . . . 0.0 110.817 -176.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.04 42.67 0.71 Allowed 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 112.903 -1.953 . . . . 0.0 113.504 174.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.437 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 1.4 t-20 -92.35 -151.99 0.3 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 113.107 -1.86 . . . . 0.0 107.818 -172.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -142.86 -70.78 0.32 Allowed 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 118.888 0.767 . . . . 0.0 109.254 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -23.67 67.51 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 113.088 -1.869 . . . . 0.0 110.927 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -43.26 33.25 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 125.154 1.533 . . . . 0.0 108.942 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.451 ' HA ' ' HG ' ' A' ' 26' ' ' CYS . . . -63.43 -45.35 91.32 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 113.025 -1.898 . . . . 0.0 111.656 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.42 72.48 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 125.496 1.747 . . . . 0.0 109.474 172.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -35.61 65.77 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 118.869 -1.133 . . . . 0.0 112.518 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.91 -53.83 48.05 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 123.995 0.809 . . . . 0.0 109.958 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.6 -14.24 60.37 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 114.031 -1.44 . . . . 0.0 112.563 -171.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.41 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -95.13 -25.79 16.28 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 124.186 0.929 . . . . 0.0 108.572 178.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.358 0.946 0 CA-C-N 112.772 -2.013 . . . . 0.0 111.96 178.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.88 -49.83 73.27 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 124.866 1.354 . . . . 0.0 111.824 175.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.63 -17.97 62.23 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.566 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.7 mt -65.47 -45.56 92.5 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 C-N-CA 119.511 -0.875 . . . . 0.0 111.71 -175.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.7 -18.64 63.55 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 124.807 1.317 . . . . 0.0 111.903 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -79.98 -53.34 6.82 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 125.103 1.502 . . . . 0.0 110.226 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 23' ' ' TYR . 10.7 mt -52.6 -45.19 66.44 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 126.465 2.353 . . . . 0.0 108.411 173.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -34.97 78.12 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.802 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.29 -18.04 65.03 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 124.881 1.363 . . . . 0.0 112.78 -178.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.435 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.3 mp -77.06 4.07 10.99 Favored 'General case' 0 CA--C 1.559 1.314 0 O-C-N 124.262 0.976 . . . . 0.0 111.879 175.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.38 25.14 8.96 Favored Glycine 0 C--N 1.358 1.803 0 O-C-N 124.03 0.831 . . . . 0.0 112.946 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 10.4 m-30 -108.58 -143.14 0.38 Allowed 'General case' 0 C--N 1.358 0.978 0 O-C-N 125.067 1.098 . . . . 0.0 109.291 -172.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -158.32 136.61 10.86 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 124.18 0.925 . . . . 0.0 108.658 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -43.78 -25.25 0.17 Allowed 'General case' 0 CA--C 1.557 1.225 0 O-C-N 125.704 1.877 . . . . 0.0 114.034 -176.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.0 m -79.13 -52.77 7.74 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.796 0.685 . . . . 0.0 111.664 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -20.11 65.94 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 118.775 -1.17 . . . . 0.0 110.886 176.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.4 t -73.51 -54.49 15.26 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 C-N-CA 126.785 2.034 . . . . 0.0 110.481 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.5 mt -60.42 -54.2 38.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 O-C-N 125.619 1.825 . . . . 0.0 109.679 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -17.87 61.76 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 125.23 1.581 . . . . 0.0 112.836 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -91.5 -15.65 28.44 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 124.426 1.079 . . . . 0.0 113.126 176.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CD1' HD12 ' A' ' 9' ' ' LEU . 2.1 t80 -111.09 -6.54 14.6 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 125.268 1.605 . . . . 0.0 110.404 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.24 -41.56 5.3 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.52 -27.36 63.14 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 113.077 -1.874 . . . . 0.0 110.867 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 m -82.6 4.36 25.03 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.532 -1.667 . . . . 0.0 112.428 174.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 56.53 60.9 2.88 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 121.482 0.658 . . . . 0.0 111.418 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.36 57.88 0.66 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 113.321 -1.763 . . . . 0.0 113.045 173.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.46 -160.26 0.77 Allowed 'General case' 0 C--N 1.352 0.693 0 CA-C-N 113.039 -1.891 . . . . 0.0 107.978 -176.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -125.37 -76.36 0.59 Allowed 'General case' 0 C--O 1.219 -0.522 0 O-C-N 123.83 0.706 . . . . 0.0 110.225 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.77 -22.22 63.85 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 113.109 -1.859 . . . . 0.0 111.152 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -45.86 24.13 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 125.363 1.664 . . . . 0.0 109.618 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.401 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . . . -65.65 -44.56 85.96 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 113.351 -1.749 . . . . 0.0 111.499 -176.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.13 78.01 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 125.317 1.636 . . . . 0.0 110.025 173.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.99 -33.78 69.28 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 117.967 -1.493 . . . . 0.0 112.721 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.401 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 6.4 t80 -63.08 -51.62 65.91 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -73.16 -29.63 63.0 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 113.661 -1.609 . . . . 0.0 112.049 -170.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.429 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -85.22 -25.65 27.2 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.055 -175.768 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.356 0.857 0 CA-C-N 113.249 -1.796 . . . . 0.0 111.63 179.064 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.433 ' HA ' ' CD1' ' A' ' 6' ' ' ILE . 6.1 mttm . . . . . 0 CA--C 1.543 0.702 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.2 -42.09 89.3 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 113.299 -1.773 . . . . 0.0 111.419 177.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.25 -17.96 60.8 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 113.324 -1.762 . . . . 0.0 110.656 175.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.433 ' CD1' ' HA ' ' A' ' 3' ' ' LYS . 71.7 mt -67.18 -48.74 77.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 C-N-CA 118.081 -1.448 . . . . 0.0 111.456 -172.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.63 -15.47 63.2 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 125.164 1.54 . . . . 0.0 112.056 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -54.08 6.24 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.797 1.31 . . . . 0.0 110.599 178.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' A' ' 23' ' ' TYR . 9.3 mt -55.94 -44.8 78.73 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 126.272 2.232 . . . . 0.0 108.385 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -34.73 78.97 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.579 -1.191 . . . . 0.0 112.618 176.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.2 -18.57 65.31 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 114.563 -1.199 . . . . 0.0 112.72 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.8 mp -78.27 4.85 11.71 Favored 'General case' 0 CA--C 1.559 1.299 0 O-C-N 124.15 0.906 . . . . 0.0 111.771 175.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.19 24.24 9.81 Favored Glycine 0 C--N 1.36 1.881 0 O-C-N 123.782 0.677 . . . . 0.0 113.218 176.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 9.6 m-30 -106.09 -142.79 0.37 Allowed 'General case' 0 C--N 1.359 1.017 0 O-C-N 124.786 0.933 . . . . 0.0 109.424 -172.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -157.18 136.89 12.3 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -47.18 -21.82 0.3 Allowed 'General case' 0 CA--C 1.557 1.23 0 O-C-N 125.376 1.672 . . . . 0.0 114.384 -176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -52.02 7.94 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 123.48 0.488 . . . . 0.0 111.363 177.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -19.68 65.27 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 124.283 0.989 . . . . 0.0 111.335 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -72.55 -58.34 5.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 O-C-N 125.916 2.01 . . . . 0.0 110.057 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.1 mm -57.6 -50.02 78.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 O-C-N 125.127 1.517 . . . . 0.0 111.485 -178.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -67.26 -28.46 68.05 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 125.513 1.758 . . . . 0.0 111.928 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.52 -16.45 55.98 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.406 1.066 . . . . 0.0 112.653 175.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.415 ' CD1' HD13 ' A' ' 9' ' ' LEU . 1.3 t80 -98.99 -26.33 14.28 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 125.077 1.486 . . . . 0.0 109.376 -178.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.41 -38.94 12.96 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 124.124 0.89 . . . . 0.0 109.976 -175.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.52 64.53 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.741 176.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.446 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.2 m -83.15 4.65 25.68 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 113.965 -1.471 . . . . 0.0 112.995 175.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 57.36 59.24 3.42 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 122.375 1.083 . . . . 0.0 111.425 -175.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm 34.18 56.2 0.63 Allowed 'General case' 0 C--N 1.35 0.615 0 CA-C-N 112.124 -2.307 . . . . 0.0 112.676 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -103.03 -144.58 0.36 Allowed 'General case' 0 C--N 1.356 0.851 0 CA-C-N 112.841 -1.981 . . . . 0.0 107.527 -173.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -143.05 -74.73 0.27 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-O 121.436 0.636 . . . . 0.0 109.433 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -22.63 66.21 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.589 -1.642 . . . . 0.0 111.165 177.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.446 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -78.4 -46.31 20.2 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 125.072 1.482 . . . . 0.0 109.55 -178.259 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.93 83.7 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.962 -1.926 . . . . 0.0 111.854 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.82 -47.91 79.21 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 124.953 1.408 . . . . 0.0 109.752 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.59 -36.79 69.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 117.747 -1.581 . . . . 0.0 112.896 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -60.12 -54.46 45.64 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 123.829 0.705 . . . . 0.0 110.47 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.8 -26.86 63.51 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 118.677 -1.209 . . . . 0.0 112.225 -169.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -87.37 -25.83 23.65 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.443 -176.2 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.358 0.946 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.101 179.784 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.8 pttt . . . . . 0 CA--C 1.544 0.72 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -39.75 74.4 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.786 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.97 -16.83 59.22 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.013 -1.903 . . . . 0.0 110.377 173.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.1 mt -75.3 -24.53 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 118.838 -1.145 . . . . 0.0 112.025 -172.535 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -88.66 -15.7 34.24 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.22 0.95 . . . . 0.0 110.505 175.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -54.87 4.47 Favored 'General case' 0 C--N 1.356 0.861 0 O-C-N 124.626 1.204 . . . . 0.0 110.378 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 23' ' ' TYR . 10.6 mt -53.44 -49.19 67.88 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 126.348 2.28 . . . . 0.0 108.835 173.737 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -62.49 -34.85 77.67 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 119.01 -1.076 . . . . 0.0 113.15 174.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.9 -18.98 65.71 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 124.271 0.982 . . . . 0.0 112.877 -175.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.456 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.3 mp -77.61 4.4 11.44 Favored 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.162 0.914 . . . . 0.0 111.932 175.838 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.94 27.05 8.06 Favored Glycine 0 C--N 1.359 1.817 0 O-C-N 123.683 0.614 . . . . 0.0 112.8 175.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 10.2 m-30 -108.42 -145.78 0.4 Allowed 'General case' 0 C--N 1.358 0.938 0 O-C-N 125.095 1.115 . . . . 0.0 108.839 -173.338 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.51 140.89 14.22 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -176.419 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -51.76 -19.06 1.46 Allowed 'General case' 0 CA--C 1.56 1.347 0 O-C-N 125.187 1.554 . . . . 0.0 113.905 -174.183 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -82.11 -52.54 6.9 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 123.405 0.441 . . . . 0.0 110.91 177.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -21.05 66.36 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 118.959 -1.097 . . . . 0.0 110.815 178.098 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.07 -59.41 3.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 C-N-CA 127.068 2.147 . . . . 0.0 110.717 -179.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.4 mm -56.98 -50.54 75.84 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 125.278 1.611 . . . . 0.0 111.082 -178.053 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -67.42 -25.86 66.13 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 125.88 1.987 . . . . 0.0 112.264 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.75 -15.96 55.11 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 124.39 1.056 . . . . 0.0 112.556 175.106 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.5 t80 -104.04 -21.67 13.56 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 125.055 1.472 . . . . 0.0 109.681 -177.474 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.76 -41.35 11.3 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 124.407 1.067 . . . . 0.0 108.817 -177.68 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.13 -25.9 62.78 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-N 113.904 -1.498 . . . . 0.0 111.339 178.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.61 3.51 28.49 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.947 1.404 . . . . 0.0 112.79 175.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 58.97 60.75 2.34 Favored 'General case' 0 C--N 1.359 0.987 0 CA-C-O 121.939 0.876 . . . . 0.0 110.961 -175.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.93 54.3 0.55 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 113.458 -1.701 . . . . 0.0 114.071 175.704 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -100.65 -145.95 0.34 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.345 -1.752 . . . . 0.0 107.543 -174.079 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -145.79 -71.48 0.25 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-O 121.459 0.647 . . . . 0.0 109.647 -175.447 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -23.31 67.38 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 113.7 -1.591 . . . . 0.0 111.093 177.046 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -43.84 19.28 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.849 1.343 . . . . 0.0 109.057 -177.582 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.5 -49.22 78.17 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 112.821 -1.99 . . . . 0.0 111.878 -179.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.65 -49.62 74.5 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 125.008 1.443 . . . . 0.0 109.955 174.553 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.97 -32.87 64.27 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 119.022 -1.071 . . . . 0.0 113.406 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -63.52 -55.4 24.26 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 124.262 0.976 . . . . 0.0 110.009 178.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.66 -29.95 66.43 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 113.765 -1.561 . . . . 0.0 112.03 -169.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.429 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.83 -27.04 31.12 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 125.133 1.52 . . . . 0.0 110.033 -175.673 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.356 0.868 0 CA-C-N 113.478 -1.692 . . . . 0.0 111.252 177.322 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 CA--C 1.546 0.819 0 CA-C-O 120.972 0.415 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.27 1.89 10.8 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 125.044 1.465 . . . . 0.0 112.064 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.74 -21.32 2.66 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 -178.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.86 -47.79 73.74 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 114.094 -1.412 . . . . 0.0 111.494 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.61 -17.07 61.72 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 112.617 -2.083 . . . . 0.0 110.89 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.9 mt -64.55 -47.24 89.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 C-N-CA 118.197 -1.401 . . . . 0.0 111.481 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.6 -18.56 65.02 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 125.077 1.486 . . . . 0.0 112.506 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.64 -53.43 6.85 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.103 -175.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 23' ' ' TYR . 8.4 mt -53.8 -44.38 70.1 Favored 'General case' 0 CA--C 1.554 1.102 0 O-C-N 126.385 2.303 . . . . 0.0 109.035 173.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -34.59 77.63 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 114.226 -1.352 . . . . 0.0 112.293 176.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.84 -18.03 64.69 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.842 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.8 mp -77.12 4.2 10.84 Favored 'General case' 0 CA--C 1.559 1.306 0 O-C-N 124.151 0.907 . . . . 0.0 111.87 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.97 25.15 9.22 Favored Glycine 0 C--N 1.357 1.739 0 O-C-N 123.865 0.728 . . . . 0.0 112.903 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 11.7 m-30 -109.15 -140.68 0.38 Allowed 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.735 0.903 . . . . 0.0 108.969 -171.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -161.49 135.99 7.09 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 124.204 0.94 . . . . 0.0 108.753 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -48.1 -19.3 0.26 Allowed 'General case' 0 CA--C 1.56 1.344 0 O-C-N 125.701 1.876 . . . . 0.0 113.934 -174.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -80.96 -54.52 5.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.769 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.04 -22.16 66.94 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 119.196 -1.002 . . . . 0.0 111.326 178.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.74 -57.78 7.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.586 0 C-N-CA 127.179 2.192 . . . . 0.0 110.667 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.9 mt -56.81 -50.82 73.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 125.343 1.652 . . . . 0.0 110.366 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.16 -21.68 65.8 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 125.323 1.639 . . . . 0.0 112.111 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.04 -9.22 54.04 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 124.238 0.961 . . . . 0.0 113.276 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.445 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.6 t80 -117.74 -2.33 11.41 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 124.747 1.279 . . . . 0.0 110.346 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -111.28 -39.69 4.64 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.76 -26.93 63.57 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 113.851 -1.522 . . . . 0.0 110.519 175.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.484 ' HG ' ' HA ' ' A' ' 33' ' ' ALA . 1.4 m -83.95 7.09 19.43 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 113.508 -1.678 . . . . 0.0 113.037 174.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 56.97 54.2 7.26 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 122.226 1.012 . . . . 0.0 111.249 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm 37.86 58.56 1.41 Allowed 'General case' 0 C--N 1.35 0.63 0 CA-C-N 112.945 -1.934 . . . . 0.0 113.338 170.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.85 -146.95 0.4 Allowed 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 113.279 -1.782 . . . . 0.0 107.715 -172.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -135.23 -76.46 0.45 Allowed 'General case' 0 C--N 1.355 0.818 0 C-N-CA 119.707 -0.797 . . . . 0.0 110.077 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -23.41 64.76 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.508 -1.678 . . . . 0.0 111.085 177.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -45.47 35.78 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 125.13 1.519 . . . . 0.0 109.67 -177.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.484 ' HA ' ' HG ' ' A' ' 26' ' ' CYS . . . -62.79 -47.82 81.79 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 113.431 -1.713 . . . . 0.0 111.888 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.99 74.56 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 125.075 1.485 . . . . 0.0 110.074 174.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.87 -32.97 68.2 Favored 'General case' 0 C--O 1.214 -0.811 0 C-N-CA 118.47 -1.292 . . . . 0.0 112.63 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.404 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 5.6 t80 -62.3 -55.2 30.53 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 124.278 0.986 . . . . 0.0 109.93 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.32 -29.2 66.99 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 114.306 -1.315 . . . . 0.0 112.14 -171.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -85.94 -25.22 26.2 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.723 -175.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.9 t -89.38 -6.45 56.61 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.47 -1.695 . . . . 0.0 112.184 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -77.56 87.51 3.88 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 124.507 1.129 . . . . 0.0 109.003 173.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -49.23 125.01 10.0 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 111.951 -2.386 . . . . 0.0 111.161 171.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -173.71 110.46 0.17 Allowed 'General case' 0 C--N 1.353 0.749 0 CA-C-N 111.92 -2.4 . . . . 0.0 108.776 -173.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -110.69 -149.65 0.45 Allowed 'General case' 0 C--N 1.351 0.634 0 CA-C-N 113.498 -1.683 . . . . 0.0 108.955 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -42.41 -55.7 3.31 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 125.038 1.461 . . . . 0.0 112.798 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.833 0 CA-C-N 113.751 -1.568 . . . . 0.0 109.457 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 . . . . . 0 C--O 1.221 -0.396 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -134.42 0.25 3.03 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 113.31 -1.768 . . . . 0.0 113.103 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -53.85 -20.42 5.84 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 125.289 1.618 . . . . 0.0 114.608 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.91 -46.27 72.05 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.88 -17.03 62.73 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 116.877 -1.929 . . . . 0.0 110.64 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.6 mt -71.84 -33.47 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 119.156 -1.017 . . . . 0.0 111.57 -173.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.61 -17.75 55.59 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 124.286 0.991 . . . . 0.0 110.959 176.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.6 -54.21 5.34 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 124.858 1.349 . . . . 0.0 110.192 -177.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 23' ' ' TYR . 9.4 mt -52.94 -49.78 65.33 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 126.567 2.417 . . . . 0.0 108.693 173.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -63.97 -33.81 76.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 118.972 -1.091 . . . . 0.0 113.09 174.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.08 -18.95 65.68 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 124.351 1.032 . . . . 0.0 112.721 -176.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.45 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.3 mp -77.73 5.13 9.98 Favored 'General case' 0 CA--C 1.562 1.413 0 O-C-N 124.224 0.952 . . . . 0.0 111.886 175.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.63 27.33 9.15 Favored Glycine 0 C--N 1.358 1.796 0 O-C-N 123.722 0.639 . . . . 0.0 112.62 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 11.9 m-30 -108.42 -144.82 0.39 Allowed 'General case' 0 C--N 1.358 0.935 0 O-C-N 125.134 1.137 . . . . 0.0 108.671 -173.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -162.24 141.87 9.67 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.409 1.068 . . . . 0.0 108.923 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.83 -24.99 0.45 Allowed 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 127.256 2.223 . . . . 0.0 114.39 -173.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.06 -50.37 8.03 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.435 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -20.75 66.33 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 118.784 -1.166 . . . . 0.0 110.513 176.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -74.86 -60.2 2.6 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.619 0 C-N-CA 127.398 2.279 . . . . 0.0 111.095 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.9 mm -59.36 -46.61 92.42 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 O-C-N 125.509 1.756 . . . . 0.0 110.805 -178.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.82 -28.98 67.23 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 125.737 1.898 . . . . 0.0 111.493 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.19 -17.23 57.06 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 124.536 1.148 . . . . 0.0 112.906 175.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.445 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.4 t80 -100.12 -25.45 14.28 Favored 'General case' 0 C--O 1.219 -0.553 0 O-C-N 125.072 1.482 . . . . 0.0 109.071 -177.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.37 -37.92 13.67 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 123.996 0.81 . . . . 0.0 109.95 -175.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.32 -25.22 62.32 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 113.854 -1.521 . . . . 0.0 110.769 176.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 m -84.17 8.68 14.88 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 113.824 -1.535 . . . . 0.0 112.452 173.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 55.47 57.93 4.98 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 122.376 1.084 . . . . 0.0 111.308 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm 33.88 59.14 0.57 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 112.594 -2.093 . . . . 0.0 113.921 174.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -104.87 -143.12 0.37 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 114.242 -1.344 . . . . 0.0 108.639 -170.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -140.61 -75.59 0.33 Allowed 'General case' 0 C--N 1.352 0.705 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.194 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -23.7 64.72 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.217 -1.811 . . . . 0.0 111.052 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -45.8 27.26 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 125.194 1.558 . . . . 0.0 109.558 -176.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.63 -47.19 86.55 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 113.396 -1.729 . . . . 0.0 111.891 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.82 -48.6 75.13 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 125.195 1.559 . . . . 0.0 109.72 174.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -58.02 -33.56 69.08 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 118.527 -1.269 . . . . 0.0 112.691 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -63.03 -53.34 55.43 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 124.37 1.044 . . . . 0.0 109.785 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.23 -30.4 67.47 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 113.678 -1.601 . . . . 0.0 112.3 -170.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -86.7 -26.53 24.22 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 113.821 -1.536 . . . . 0.0 109.725 -175.568 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.9 t -79.11 -16.36 56.83 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 113.067 -1.879 . . . . 0.0 112.037 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -57.95 100.77 0.06 Allowed 'General case' 0 C--N 1.357 0.9 0 O-C-N 124.987 1.429 . . . . 0.0 110.903 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -64.02 134.63 55.37 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 111.571 -2.558 . . . . 0.0 108.891 -176.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -173.96 123.18 0.33 Allowed 'General case' 0 C--N 1.347 0.457 0 CA-C-N 112.879 -1.964 . . . . 0.0 107.595 -172.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -96.08 -59.33 1.87 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 112.898 -1.955 . . . . 0.0 108.688 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 174.05 -89.46 0.0 OUTLIER 'General case' 0 C--N 1.356 0.858 0 O-C-N 125.97 2.044 . . . . 0.0 108.287 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 C--N 1.354 0.786 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.226 -174.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 . . . . . 0 CA--C 1.535 0.394 0 CA-C-O 120.924 0.392 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -96.39 -15.03 22.05 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 125.009 1.443 . . . . 0.0 111.021 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 pttm -48.0 -22.83 0.66 Allowed 'General case' 0 C--N 1.362 1.131 0 O-C-N 125.025 1.453 . . . . 0.0 114.673 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -48.87 74.13 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 113.429 -1.714 . . . . 0.0 110.99 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.64 -17.08 60.11 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-N 112.502 -2.135 . . . . 0.0 110.834 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.0 mt -70.83 -41.48 77.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 C-N-CA 117.989 -1.484 . . . . 0.0 111.411 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.83 -18.1 63.43 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 117.965 -1.494 . . . . 0.0 112.385 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.45 -55.52 4.44 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 124.985 1.428 . . . . 0.0 109.925 -176.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.442 HD12 ' CD1' ' A' ' 23' ' ' TYR . 11.4 mt -49.71 -50.6 43.34 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 126.348 2.28 . . . . 0.0 109.187 174.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -63.77 -35.81 81.81 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.851 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.24 -19.76 65.92 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 124.762 1.289 . . . . 0.0 112.826 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.456 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 1.8 mp -77.28 4.82 9.75 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 124.262 0.976 . . . . 0.0 111.791 175.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.7 23.07 9.63 Favored Glycine 0 C--N 1.357 1.732 0 O-C-N 123.946 0.779 . . . . 0.0 112.719 176.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 6.6 m-30 -107.56 -146.33 0.4 Allowed 'General case' 0 C--N 1.357 0.923 0 O-C-N 125.191 1.171 . . . . 0.0 108.566 -173.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -163.42 142.11 8.08 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.385 1.053 . . . . 0.0 108.527 -176.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -45.69 -24.69 0.39 Allowed 'General case' 0 CA--C 1.555 1.137 0 O-C-N 126.137 2.148 . . . . 0.0 114.526 -173.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -52.9 7.14 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 123.67 0.607 . . . . 0.0 110.772 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.13 -15.73 63.49 Favored 'General case' 0 C--N 1.357 0.931 0 O-C-N 124.686 1.241 . . . . 0.0 111.365 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.93 -58.38 4.1 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.621 0 O-C-N 126.059 2.099 . . . . 0.0 109.994 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.5 mm -57.75 -49.91 79.29 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 O-C-N 125.604 1.815 . . . . 0.0 111.122 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -67.97 -29.27 68.27 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 125.4 1.688 . . . . 0.0 111.681 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -77.3 -18.91 57.13 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 124.527 1.142 . . . . 0.0 112.827 177.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.5 t80 -97.99 -27.36 14.28 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 125.352 1.657 . . . . 0.0 109.3 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.12 -39.14 14.8 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 124.209 0.943 . . . . 0.0 110.046 -175.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.04 -26.24 64.88 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 125.301 1.626 . . . . 0.0 110.592 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.475 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.3 m -83.5 4.74 26.63 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 113.757 -1.565 . . . . 0.0 113.046 175.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 57.01 61.97 2.4 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-O 122.195 0.997 . . . . 0.0 111.151 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm 29.21 60.38 0.15 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.691 2.396 . . . . 0.0 112.953 174.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -104.66 -142.71 0.37 Allowed 'General case' 0 C--N 1.356 0.848 0 CA-C-N 113.534 -1.667 . . . . 0.0 108.102 -171.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -140.5 -75.89 0.33 Allowed 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.861 0.726 . . . . 0.0 110.306 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -21.8 62.79 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 113.257 -1.792 . . . . 0.0 111.267 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.475 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -78.23 -48.35 15.98 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 125.421 1.701 . . . . 0.0 109.736 -178.732 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.414 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . . . -60.8 -45.27 95.07 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 113.533 -1.667 . . . . 0.0 111.695 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.07 -48.23 79.08 Favored 'General case' 0 C--O 1.209 -1.035 0 O-C-N 125.231 1.582 . . . . 0.0 109.8 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -55.65 -36.91 67.56 Favored 'General case' 0 C--O 1.204 -1.311 0 C-N-CA 117.951 -1.5 . . . . 0.0 112.915 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.427 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 7.6 t80 -59.56 -54.44 46.55 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 124.399 1.062 . . . . 0.0 110.916 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.33 -28.98 64.47 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 113.806 -1.543 . . . . 0.0 111.731 -170.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.446 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -85.09 -25.91 27.26 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 113.952 -1.476 . . . . 0.0 110.202 -176.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.1 m -74.58 -22.4 58.99 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 113.416 -1.72 . . . . 0.0 111.394 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -83.53 76.99 9.91 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 125.196 1.56 . . . . 0.0 109.916 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.05 126.73 7.81 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 112.89 -1.959 . . . . 0.0 111.68 170.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.2 t80 177.5 81.86 0.01 OUTLIER 'General case' 0 C--N 1.354 0.804 0 CA-C-N 111.947 -2.388 . . . . 0.0 108.682 -174.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.1 t70 177.73 -80.69 0.0 OUTLIER 'General case' 0 C--N 1.355 0.806 0 O-C-N 125.234 1.583 . . . . 0.0 108.265 175.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.12 105.21 0.18 Allowed 'General case' 0 C--N 1.353 0.742 0 CA-C-N 113.339 -1.755 . . . . 0.0 107.534 -174.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.74 0 CA-C-N 113.107 -1.86 . . . . 0.0 108.296 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 . . . . . 0 CA--C 1.541 0.629 0 CA-C-O 121.337 0.589 . . . . 0.0 112.149 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.436 ' CG ' ' HZ2' ' A' ' 28' ' ' LYS . 6.2 tm-20 -106.58 -7.18 17.55 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.679 -1.6 . . . . 0.0 111.255 -175.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -19.61 2.65 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.991 1.432 . . . . 0.0 114.416 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.61 -44.45 82.07 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 124.812 1.32 . . . . 0.0 112.034 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.27 -14.33 60.12 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 113.256 -1.793 . . . . 0.0 111.005 176.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.0 mt -75.2 -27.13 19.34 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 C-N-CA 118.205 -1.398 . . . . 0.0 111.71 -175.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -84.01 -16.15 45.04 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 124.151 0.907 . . . . 0.0 111.268 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -55.16 4.15 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 124.751 1.282 . . . . 0.0 110.213 -177.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 23' ' ' TYR . 10.9 mt -51.57 -49.97 61.03 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 126.49 2.369 . . . . 0.0 108.92 172.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -60.17 -38.27 82.67 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.842 -1.072 . . . . 0.0 113.307 174.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.71 -19.44 65.9 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 124.378 1.049 . . . . 0.0 113.011 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.1 mp -76.92 3.99 10.91 Favored 'General case' 0 CA--C 1.559 1.321 0 O-C-N 124.178 0.924 . . . . 0.0 111.993 176.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.93 24.2 9.29 Favored Glycine 0 C--N 1.359 1.834 0 O-C-N 123.852 0.72 . . . . 0.0 112.756 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 7.7 m-30 -106.61 -144.79 0.38 Allowed 'General case' 0 C--N 1.357 0.932 0 O-C-N 125.186 1.168 . . . . 0.0 108.768 -174.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -162.47 139.79 8.16 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -176.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -47.64 -22.84 0.56 Allowed 'General case' 0 CA--C 1.556 1.18 0 O-C-N 125.603 1.814 . . . . 0.0 113.972 -173.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.43 -52.18 7.53 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.068 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.42 -19.16 65.34 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 118.461 -1.296 . . . . 0.0 110.975 177.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -74.79 -59.45 3.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 C-N-CA 127.485 2.314 . . . . 0.0 110.508 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.8 mm -58.04 -47.16 87.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.35 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -71.06 -27.94 64.01 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 125.429 1.705 . . . . 0.0 111.669 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -76.68 -19.33 57.85 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 124.622 1.201 . . . . 0.0 112.575 175.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.431 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.2 t80 -97.45 -29.05 13.71 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 125.214 1.571 . . . . 0.0 108.832 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.21 -38.22 16.56 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 124.077 0.861 . . . . 0.0 110.181 -176.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.96 -26.04 64.84 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.584 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.99 10.55 13.8 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 113.617 -1.629 . . . . 0.0 112.835 174.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 55.36 58.02 4.96 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 122.418 1.104 . . . . 0.0 111.46 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HZ2' ' CG ' ' A' ' 2' ' ' GLU . 13.3 mmmt 31.76 60.36 0.31 Allowed 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 112.451 -2.159 . . . . 0.0 113.708 175.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -106.05 -147.69 0.4 Allowed 'General case' 0 C--N 1.361 1.096 0 CA-C-N 114.578 -1.192 . . . . 0.0 108.686 -172.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -134.28 -76.22 0.47 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-O 121.457 0.646 . . . . 0.0 110.671 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.46 -21.29 64.04 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 113.251 -1.795 . . . . 0.0 111.121 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -46.58 20.71 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 125.253 1.595 . . . . 0.0 109.924 -177.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.74 89.54 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.691 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.13 78.98 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.324 174.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -33.48 67.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 118.702 -1.199 . . . . 0.0 112.798 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.416 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 10.1 t80 -65.32 -50.91 63.84 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 124.441 1.088 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -73.28 -29.32 62.65 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 113.62 -1.627 . . . . 0.0 111.711 -171.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -85.59 -26.25 26.21 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 114.208 -1.36 . . . . 0.0 110.479 -175.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 t -67.8 -35.29 78.37 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 113.212 -1.813 . . . . 0.0 110.886 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -91.0 100.59 13.42 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 125.133 1.521 . . . . 0.0 109.646 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -52.3 132.96 34.67 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 111.419 -2.628 . . . . 0.0 110.276 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -176.63 51.24 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.041 0 O-C-N 125.3 1.625 . . . . 0.0 109.51 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -170.83 -74.97 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.458 -1.246 . . . . 0.0 108.362 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -142.75 -73.35 0.3 Allowed 'General case' 0 C--N 1.357 0.892 0 CA-C-N 113.685 -1.598 . . . . 0.0 107.826 -175.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 CA--C 1.55 0.956 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.656 -176.427 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.395 0 CA-C-O 122.076 0.941 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 85.84 5.73 0.44 Allowed 'General case' 0 C--N 1.349 0.555 0 CA-C-N 111.462 -2.608 . . . . 0.0 113.245 177.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -58.06 -18.52 25.09 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 124.775 1.297 . . . . 0.0 114.196 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -43.44 80.23 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 124.624 1.202 . . . . 0.0 111.479 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.35 -19.16 60.55 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.48 176.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.8 mt -69.96 -42.18 79.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.827 0 C-N-CA 118.257 -1.377 . . . . 0.0 111.212 -173.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.18 -17.7 63.83 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 119.353 -0.939 . . . . 0.0 112.506 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.17 -57.31 3.45 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.445 1.091 . . . . 0.0 110.428 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.7 mt -47.59 -50.36 24.29 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 127.666 2.386 . . . . 0.0 109.186 173.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -64.88 -36.42 84.29 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.396 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.79 -19.61 65.78 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.582 -1.19 . . . . 0.0 112.702 -177.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.449 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 1.9 mp -76.25 3.46 10.76 Favored 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.142 0.901 . . . . 0.0 111.674 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.06 23.58 8.5 Favored Glycine 0 C--N 1.358 1.753 0 O-C-N 123.675 0.609 . . . . 0.0 112.589 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 9.0 m-30 -108.01 -146.19 0.4 Allowed 'General case' 0 C--N 1.354 0.784 0 O-C-N 125.005 1.062 . . . . 0.0 108.244 -173.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -160.24 141.21 12.13 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -175.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.19 -27.65 0.43 Allowed 'General case' 0 CA--C 1.554 1.119 0 O-C-N 125.239 1.587 . . . . 0.0 114.764 -176.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.54 -50.63 10.43 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.244 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -20.52 64.91 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.485 1.116 . . . . 0.0 111.089 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.2 t -76.5 -55.77 10.11 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 126.944 2.098 . . . . 0.0 110.482 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.0 mm -62.12 -43.31 97.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 CA-C-N 113.365 -1.743 . . . . 0.0 110.669 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -74.74 -25.94 59.45 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 125.822 1.951 . . . . 0.0 111.332 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.79 -18.07 54.71 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.712 1.258 . . . . 0.0 112.318 174.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.424 ' CZ ' ' O ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER -93.54 -40.23 10.42 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 124.901 1.375 . . . . 0.0 108.766 -179.726 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.44 -40.44 57.57 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 125.092 1.495 . . . . 0.0 110.247 -175.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.24 -26.17 64.65 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 124.697 1.248 . . . . 0.0 110.616 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.37 4.77 26.01 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.965 -1.47 . . . . 0.0 112.823 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 59.25 62.6 1.78 Allowed 'General case' 0 C--N 1.358 0.956 0 O-C-N 123.861 0.725 . . . . 0.0 110.244 -175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? 27.86 63.22 0.1 Allowed 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 113.811 -1.54 . . . . 0.0 113.77 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.424 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -109.8 -148.17 0.42 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-N 113.194 -1.821 . . . . 0.0 107.368 -174.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -142.98 -71.01 0.32 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.631 0.651 . . . . 0.0 110.196 -176.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -22.39 66.63 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.776 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.52 -43.32 23.32 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 124.903 1.377 . . . . 0.0 109.468 -178.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.76 -47.29 85.85 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 113.476 -1.693 . . . . 0.0 111.689 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.67 -49.37 75.29 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 124.916 1.385 . . . . 0.0 109.672 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.23 -38.83 68.97 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 118.689 -1.204 . . . . 0.0 112.253 178.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -58.03 -56.59 20.08 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.039 0.837 . . . . 0.0 110.484 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.49 -29.28 67.86 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 125.319 1.637 . . . . 0.0 112.093 -170.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.42 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -86.82 -26.09 24.23 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 124.974 1.421 . . . . 0.0 109.713 -177.147 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.6 m -81.83 -16.97 49.1 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 113.454 -1.703 . . . . 0.0 111.322 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -58.7 115.47 3.08 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 118.521 -1.272 . . . . 0.0 111.354 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -66.75 120.78 14.1 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 111.515 -2.584 . . . . 0.0 109.602 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -152.9 108.06 3.24 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 111.826 -2.443 . . . . 0.0 107.678 -173.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 55.06 -148.86 0.47 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-N 112.232 -2.258 . . . . 0.0 108.675 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 34.09 59.43 0.59 Allowed 'General case' 0 C--N 1.358 0.951 0 O-C-N 124.941 1.4 . . . . 0.0 112.46 170.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 CA--C 1.544 0.719 0 CA-C-N 113.176 -1.829 . . . . 0.0 109.073 -173.599 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 121.915 0.864 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -93.16 -10.72 34.84 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 113.204 -1.817 . . . . 0.0 112.068 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -17.81 57.8 Favored 'General case' 0 C--N 1.357 0.926 0 O-C-N 125.539 1.774 . . . . 0.0 113.149 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -44.57 90.0 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 114.117 -1.401 . . . . 0.0 111.448 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.87 -15.29 61.16 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 113.426 -1.715 . . . . 0.0 110.639 177.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.2 mm -72.7 -41.89 62.28 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 C-N-CA 118.719 -1.192 . . . . 0.0 112.214 -170.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.91 -17.54 61.5 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 125.108 1.505 . . . . 0.0 111.614 175.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -54.49 5.89 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 124.913 1.383 . . . . 0.0 110.274 -178.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 23' ' ' TYR . 9.6 mt -57.02 -45.23 83.24 Favored 'General case' 0 CA--C 1.551 0.986 0 O-C-N 126.39 2.306 . . . . 0.0 108.123 176.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -37.8 86.08 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.82 174.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.53 -19.17 65.72 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.69 -174.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.449 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.2 mp -76.87 3.06 12.84 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 124.29 0.994 . . . . 0.0 111.976 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.94 23.51 8.6 Favored Glycine 0 C--N 1.359 1.817 0 O-C-N 123.882 0.739 . . . . 0.0 113.064 176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' HD21 ' A' ' 38' ' ' LEU . 7.6 m-30 -108.23 -147.16 0.41 Allowed 'General case' 0 C--N 1.359 1.002 0 O-C-N 124.922 1.013 . . . . 0.0 109.216 -172.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -155.94 136.44 13.22 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -46.34 -20.61 0.12 Allowed 'General case' 0 CA--C 1.56 1.332 0 O-C-N 125.588 1.805 . . . . 0.0 114.611 -175.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -80.31 -53.95 6.17 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.769 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.64 -22.31 66.64 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.464 178.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.02 -57.71 6.71 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 C-N-CA 127.869 2.468 . . . . 0.0 110.329 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.91 -49.21 79.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 125.042 1.463 . . . . 0.0 109.859 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -70.92 -24.32 62.43 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 125.747 1.904 . . . . 0.0 112.18 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.73 -11.78 59.57 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 124.286 0.991 . . . . 0.0 112.802 174.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.444 ' CD1' HD13 ' A' ' 9' ' ' LEU . 1.2 t80 -107.86 -24.38 11.68 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 124.929 1.393 . . . . 0.0 109.961 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.35 -42.12 11.74 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 124.433 1.083 . . . . 0.0 109.397 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.98 -25.94 62.93 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 113.907 -1.497 . . . . 0.0 111.128 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.408 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.1 m -81.34 2.13 29.66 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 113.981 -1.463 . . . . 0.0 112.728 175.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 59.25 61.21 2.12 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-O 122.212 1.006 . . . . 0.0 110.637 -176.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.0 60.69 0.32 Allowed 'General case' 0 C--N 1.35 0.607 0 CA-C-N 113.049 -1.887 . . . . 0.0 113.756 175.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -105.53 -148.91 0.41 Allowed 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.896 -1.956 . . . . 0.0 107.631 -173.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -141.88 -72.62 0.32 Allowed 'General case' 0 C--N 1.35 0.62 0 O-C-N 123.881 0.738 . . . . 0.0 110.035 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -21.94 66.25 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 113.667 -1.606 . . . . 0.0 110.788 178.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.408 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -80.63 -43.4 20.54 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 125.067 1.479 . . . . 0.0 109.583 -178.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.4 81.86 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 112.789 -2.005 . . . . 0.0 111.906 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.14 -48.34 80.55 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 124.89 1.369 . . . . 0.0 109.986 174.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.2 -33.48 65.36 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 118.669 -1.213 . . . . 0.0 113.196 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -62.06 -56.64 16.95 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 124.687 1.242 . . . . 0.0 109.931 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.33 -30.57 68.64 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 124.866 1.353 . . . . 0.0 112.765 -169.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.457 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -83.16 -25.87 31.45 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 113.811 -1.54 . . . . 0.0 110.176 -174.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.4 t -79.9 -12.92 59.71 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 113.298 -1.774 . . . . 0.0 112.208 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -75.77 96.93 3.74 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 124.355 1.034 . . . . 0.0 109.242 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.21 129.85 39.43 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 112.87 -1.968 . . . . 0.0 108.119 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -174.06 111.52 0.17 Allowed 'General case' 0 C--N 1.349 0.552 0 O-C-N 125.494 1.746 . . . . 0.0 107.194 -177.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -174.92 -44.49 0.01 OUTLIER 'General case' 0 C--N 1.349 0.562 0 O-C-N 124.649 1.218 . . . . 0.0 109.501 172.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 62.04 29.88 17.77 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-N 113.188 -1.824 . . . . 0.0 112.685 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 . . . . . 0 CA--C 1.544 0.728 0 O-C-N 124.951 1.407 . . . . 0.0 109.97 -175.243 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 . . . . . 0 CA--C 1.539 0.526 0 CA-C-O 121.027 0.441 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.28 4.53 8.47 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.652 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -59.36 -19.66 48.52 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 125.024 1.452 . . . . 0.0 113.387 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.08 -40.44 86.98 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.513 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.21 -19.15 58.65 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 112.832 -1.985 . . . . 0.0 110.718 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 mm -69.11 -45.79 79.26 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 C-N-CA 118.343 -1.343 . . . . 0.0 110.753 -174.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -68.54 -17.37 64.14 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 124.214 0.946 . . . . 0.0 113.153 175.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.16 -55.52 4.5 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 124.58 1.175 . . . . 0.0 109.941 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.451 HD12 ' CD2' ' A' ' 23' ' ' TYR . 9.3 mt -51.43 -49.06 62.39 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 127.081 2.152 . . . . 0.0 109.093 174.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -63.94 -35.53 80.98 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.548 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.82 -19.47 65.75 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 114.286 -1.325 . . . . 0.0 112.503 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 1.9 mp -77.4 4.88 9.87 Favored 'General case' 0 CA--C 1.56 1.353 0 O-C-N 124.089 0.868 . . . . 0.0 111.767 175.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.64 21.87 10.07 Favored Glycine 0 C--N 1.355 1.622 0 O-C-N 123.717 0.635 . . . . 0.0 112.668 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.447 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 7.7 m-30 -107.03 -147.37 0.41 Allowed 'General case' 0 CA--C 1.545 0.755 0 O-C-N 125.029 1.076 . . . . 0.0 108.337 -173.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -161.28 142.4 11.41 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 124.283 0.989 . . . . 0.0 108.374 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -24.7 0.4 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.864 1.666 . . . . 0.0 114.683 -174.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.57 -51.81 7.86 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.867 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -22.75 66.57 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 124.326 1.017 . . . . 0.0 111.225 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -74.68 -57.12 7.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 C-N-CA 128.413 2.685 . . . . 0.0 110.944 -178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 mt -55.31 -54.72 21.93 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 O-C-N 125.247 1.592 . . . . 0.0 109.697 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -62.29 -26.84 68.63 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 125.254 1.596 . . . . 0.0 112.366 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.68 -9.45 58.23 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 124.199 0.937 . . . . 0.0 113.424 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CD2' HD12 ' A' ' 9' ' ' LEU . 1.8 t80 -119.15 -3.44 10.6 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 124.591 1.182 . . . . 0.0 109.984 -178.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.2 -40.02 4.56 Favored 'General case' 0 C--N 1.346 0.425 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.04 -27.56 62.79 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 124.864 1.353 . . . . 0.0 110.513 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.429 ' HG ' ' HA ' ' A' ' 33' ' ' ALA . 1.3 m -79.91 1.81 25.78 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 114.144 -1.389 . . . . 0.0 112.905 175.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 58.71 61.48 2.18 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.133 0.895 . . . . 0.0 111.013 -176.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? 32.64 55.19 0.39 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-N 112.656 -2.065 . . . . 0.0 112.685 170.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -100.2 -142.03 0.33 Allowed 'General case' 0 C--N 1.35 0.615 0 CA-C-N 112.644 -2.071 . . . . 0.0 107.338 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -143.6 -78.56 0.22 Allowed 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.732 0.645 . . . . 0.0 109.517 -177.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.58 -21.74 65.84 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 114.059 -1.428 . . . . 0.0 111.343 176.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.17 -42.88 22.56 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 125.079 1.487 . . . . 0.0 109.644 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.435 ' CB ' ' CD2' ' A' ' 23' ' ' TYR . . . -66.06 -45.53 81.01 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.032 -1.894 . . . . 0.0 111.164 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.36 -49.39 72.39 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 125.49 1.743 . . . . 0.0 109.971 172.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -34.88 60.62 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 118.866 -1.134 . . . . 0.0 113.104 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.51 -54.8 38.53 Favored 'General case' 0 CA--C 1.55 0.976 0 O-C-N 124.295 0.997 . . . . 0.0 110.869 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mp -71.65 -28.96 64.11 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.679 -170.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.439 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.82 -26.89 31.28 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 125.171 1.544 . . . . 0.0 109.499 -177.182 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -67.55 -24.65 65.56 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 113.483 -1.69 . . . . 0.0 112.446 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.29 101.01 0.02 OUTLIER 'General case' 0 C--N 1.359 0.983 0 O-C-N 125.307 1.629 . . . . 0.0 111.585 178.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -61.58 132.16 52.42 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 112.566 -2.106 . . . . 0.0 109.782 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.2 t80 179.5 139.86 0.11 Allowed 'General case' 0 C--N 1.35 0.599 0 CA-C-N 112.506 -2.134 . . . . 0.0 108.131 -171.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 t70 49.15 79.92 0.07 Allowed 'General case' 0 C--N 1.352 0.712 0 CA-C-N 113.166 -1.834 . . . . 0.0 110.93 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -148.09 32.79 0.83 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 113.396 -1.729 . . . . 0.0 109.82 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 . . . . . 0 CA--C 1.542 0.654 0 CA-C-N 114.285 -1.325 . . . . 0.0 109.458 177.386 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 CA--C 1.542 0.646 0 CA-C-O 121.475 0.655 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -118.05 -17.6 9.62 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 113.89 -1.505 . . . . 0.0 112.198 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -41.38 -27.81 0.1 Allowed 'General case' 0 C--N 1.358 0.969 0 O-C-N 125.465 1.728 . . . . 0.0 114.923 -178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -58.45 -56.34 23.4 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 113.942 -1.481 . . . . 0.0 111.211 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.47 -18.1 61.16 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 112.774 -2.012 . . . . 0.0 111.32 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.3 mt -65.42 -47.81 85.43 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 118.26 -1.376 . . . . 0.0 111.072 -174.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -68.52 -17.77 64.23 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 125.244 1.59 . . . . 0.0 112.128 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.58 -53.08 6.87 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 125.172 1.545 . . . . 0.0 110.265 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.441 HD13 ' CD1' ' A' ' 23' ' ' TYR . 9.1 mt -55.75 -46.13 77.89 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 127.483 2.313 . . . . 0.0 108.341 174.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -35.82 82.03 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.564 -1.198 . . . . 0.0 112.777 175.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.34 -18.47 65.17 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.768 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.437 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.4 mp -77.46 4.24 11.51 Favored 'General case' 0 CA--C 1.558 1.277 0 O-C-N 124.207 0.942 . . . . 0.0 111.836 175.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.43 24.4 9.5 Favored Glycine 0 C--N 1.359 1.841 0 O-C-N 124.003 0.814 . . . . 0.0 112.972 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.441 ' CZ ' HD21 ' A' ' 38' ' ' LEU . 9.0 m-30 -107.25 -145.17 0.39 Allowed 'General case' 0 C--N 1.357 0.934 0 O-C-N 125.056 1.092 . . . . 0.0 109.241 -173.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -157.06 138.49 13.9 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.12 0.888 . . . . 0.0 109.09 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -45.51 -24.4 0.32 Allowed 'General case' 0 CA--C 1.558 1.284 0 O-C-N 125.842 1.964 . . . . 0.0 113.915 -175.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.1 -52.9 7.23 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.569 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.5 -22.43 66.73 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 118.955 -1.098 . . . . 0.0 110.734 177.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -70.05 -58.33 5.76 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 C-N-CA 127.688 2.395 . . . . 0.0 111.175 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.01 -48.96 80.82 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 O-C-N 125.506 1.754 . . . . 0.0 110.437 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -70.3 -24.17 62.98 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 125.566 1.791 . . . . 0.0 112.258 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.86 -10.81 58.66 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.535 1.147 . . . . 0.0 112.95 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CD1' HD13 ' A' ' 9' ' ' LEU . 1.3 t80 -108.49 -21.3 12.79 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 124.923 1.389 . . . . 0.0 110.135 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -92.01 -42.63 9.87 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.398 1.061 . . . . 0.0 108.989 -178.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.46 -25.89 62.49 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 114.012 -1.449 . . . . 0.0 111.227 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.424 ' HG ' ' HA ' ' A' ' 33' ' ' ALA . 1.2 m -80.7 0.51 34.13 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 114.018 -1.446 . . . . 0.0 112.829 175.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 57.5 67.41 0.98 Allowed 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.255 0.972 . . . . 0.0 110.919 -173.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 28.75 58.6 0.13 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 112.085 -2.325 . . . . 0.0 113.345 173.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.59 -162.14 0.82 Allowed 'General case' 0 C--N 1.35 0.601 0 CA-C-N 112.589 -2.096 . . . . 0.0 107.064 -175.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -129.81 -74.83 0.55 Allowed 'General case' 0 C--N 1.35 0.607 0 O-C-N 124.274 0.984 . . . . 0.0 109.344 -173.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -21.45 66.02 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.466 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -82.78 -41.22 19.41 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.992 1.432 . . . . 0.0 110.113 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HA ' ' HG ' ' A' ' 26' ' ' CYS . . . -60.97 -49.13 78.68 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 112.59 -2.095 . . . . 0.0 111.776 177.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.05 -48.28 78.93 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 124.973 1.421 . . . . 0.0 109.942 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -56.32 -34.61 66.71 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 118.311 -1.356 . . . . 0.0 113.107 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -60.27 -54.31 47.26 Favored 'General case' 0 CA--C 1.55 0.979 0 O-C-N 124.375 1.047 . . . . 0.0 110.701 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.25 -29.16 63.65 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 114.517 -1.22 . . . . 0.0 112.364 -171.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.78 -26.54 31.73 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.158 -1.383 . . . . 0.0 110.183 -176.003 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.7 t -77.56 -15.8 59.03 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 113.16 -1.837 . . . . 0.0 111.82 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -63.28 96.09 0.1 Allowed 'General case' 0 C--N 1.359 1.015 0 O-C-N 125.096 1.498 . . . . 0.0 110.078 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.58 131.28 14.25 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 112.075 -2.33 . . . . 0.0 111.443 175.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -173.21 125.54 0.42 Allowed 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 111.849 -2.432 . . . . 0.0 108.115 -173.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -161.07 126.98 3.83 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 112.902 -1.954 . . . . 0.0 108.064 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -74.85 -35.33 62.36 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 113.994 -1.457 . . . . 0.0 111.44 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 . . . . . 0 CA--C 1.547 0.857 0 O-C-N 125.263 1.602 . . . . 0.0 111.41 179.063 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.51 12.37 16.17 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 124.567 1.167 . . . . 0.0 111.614 177.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.408 ' HA ' ' CD1' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -52.85 -21.65 4.5 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -177.082 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -69.42 -39.02 78.13 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.68 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.41 -15.04 59.56 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 112.111 -2.313 . . . . 0.0 110.232 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 3' ' ' LYS . 41.2 mt -75.79 -22.59 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 118.916 -1.114 . . . . 0.0 112.145 -175.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -88.02 -16.1 34.59 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 124.059 0.85 . . . . 0.0 110.633 174.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.0 -54.98 4.3 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.858 1.349 . . . . 0.0 110.306 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 23' ' ' TYR . 10.0 mt -52.2 -49.75 63.28 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 126.445 2.34 . . . . 0.0 108.717 172.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -62.47 -35.65 79.99 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 119.054 -1.058 . . . . 0.0 113.103 175.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.59 -19.39 65.9 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 124.508 1.13 . . . . 0.0 112.812 -176.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.443 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.1 mp -76.91 4.12 10.58 Favored 'General case' 0 CA--C 1.56 1.342 0 O-C-N 124.196 0.935 . . . . 0.0 111.988 175.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.14 26.21 8.47 Favored Glycine 0 C--N 1.358 1.752 0 O-C-N 123.803 0.69 . . . . 0.0 112.675 176.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 9.2 m-30 -107.98 -145.16 0.39 Allowed 'General case' 0 C--N 1.358 0.954 0 O-C-N 125.124 1.132 . . . . 0.0 108.913 -173.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -159.9 140.66 12.18 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 -176.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -51.75 -19.32 1.58 Allowed 'General case' 0 CA--C 1.56 1.335 0 O-C-N 125.275 1.609 . . . . 0.0 113.696 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -52.85 7.17 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 120.329 -0.548 . . . . 0.0 111.032 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -20.65 66.09 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 124.768 1.292 . . . . 0.0 110.65 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.54 -57.9 5.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 C-N-CA 127.56 2.344 . . . . 0.0 111.067 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.1 mm -56.8 -51.06 72.18 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 O-C-N 125.521 1.763 . . . . 0.0 110.314 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -68.14 -23.28 64.86 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 125.754 1.909 . . . . 0.0 112.377 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.23 -15.22 44.29 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.537 1.148 . . . . 0.0 113.12 176.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.5 t80 -106.27 -14.87 14.99 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 125.004 1.44 . . . . 0.0 109.413 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -98.93 -38.94 8.81 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.82 -25.74 63.9 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 125.261 1.601 . . . . 0.0 110.765 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.425 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.3 m -84.11 5.87 24.46 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.93 -1.486 . . . . 0.0 112.851 175.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 59.36 55.07 4.38 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 122.154 0.978 . . . . 0.0 111.841 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? 31.86 52.91 0.24 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-N 112.94 -1.936 . . . . 0.0 113.144 173.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.6 -100.88 0.09 Allowed 'General case' 0 C--N 1.354 0.803 0 CA-C-N 111.896 -2.411 . . . . 0.0 107.31 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 170.4 -81.32 0.0 OUTLIER 'General case' 0 C--N 1.353 0.739 0 O-C-N 124.471 1.107 . . . . 0.0 109.068 -172.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.05 -23.02 66.22 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 113.836 -1.529 . . . . 0.0 110.641 179.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -76.94 -44.03 33.05 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 125.187 1.554 . . . . 0.0 109.599 179.504 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.46 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . . . -62.66 -46.04 90.05 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.16 -1.836 . . . . 0.0 111.887 -177.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.28 -48.32 68.42 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 125.221 1.576 . . . . 0.0 109.95 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -57.39 -35.41 69.98 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 118.443 -1.303 . . . . 0.0 113.087 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.0 -51.91 66.12 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 124.397 1.061 . . . . 0.0 110.409 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.6 -30.42 64.34 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.229 -1.35 . . . . 0.0 112.087 -169.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.419 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -84.1 -26.24 29.1 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-N 114.11 -1.405 . . . . 0.0 110.2 -175.347 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.5 t -72.19 -25.04 61.52 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 113.149 -1.842 . . . . 0.0 111.14 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -79.34 89.28 4.95 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 124.875 1.36 . . . . 0.0 110.007 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -54.66 132.38 45.33 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 112.848 -1.978 . . . . 0.0 110.377 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CG ' ' O ' ' A' ' 42' ' ' PHE . 70.6 t80 -172.24 26.82 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.27 0 O-C-N 124.905 1.378 . . . . 0.0 111.156 -174.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -171.24 -90.59 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.4 t70 53.76 91.47 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.907 0 O-C-N 125.375 1.672 . . . . 0.0 110.385 -173.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 . . . . . 0 CA--C 1.559 1.324 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.284 176.458 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.67 0 CA-C-O 121.757 0.789 . . . . 0.0 112.447 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -93.87 14.31 19.88 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 114.035 -1.439 . . . . 0.0 112.49 -170.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -60.64 -20.87 61.94 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 125.777 1.923 . . . . 0.0 112.957 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -39.29 84.72 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.546 1.154 . . . . 0.0 111.202 178.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.32 -15.95 60.45 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 112.996 -1.911 . . . . 0.0 110.377 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.8 mm -75.18 -27.1 19.35 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 C-N-CA 118.662 -1.215 . . . . 0.0 111.989 -172.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -85.89 -15.91 40.24 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.173 0.921 . . . . 0.0 111.344 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.23 -53.77 5.27 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.709 1.256 . . . . 0.0 109.81 -176.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.461 HD12 ' CD1' ' A' ' 23' ' ' TYR . 11.6 mt -56.39 -48.31 77.15 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 126.508 2.38 . . . . 0.0 108.604 175.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -61.64 -35.26 77.42 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.99 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.08 -18.83 65.5 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.455 1.097 . . . . 0.0 112.838 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.0 mp -77.17 5.34 8.53 Favored 'General case' 0 CA--C 1.557 1.241 0 O-C-N 124.169 0.918 . . . . 0.0 111.654 175.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.43 31.61 7.07 Favored Glycine 0 C--N 1.358 1.779 0 O-C-N 123.939 0.775 . . . . 0.0 112.288 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 10.6 m-30 -112.22 -145.36 0.4 Allowed 'General case' 0 C--N 1.359 1.02 0 O-C-N 125.424 1.308 . . . . 0.0 108.956 -175.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -160.11 141.34 12.41 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 -176.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -50.55 -20.07 1.07 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 125.143 1.527 . . . . 0.0 114.225 -175.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -53.82 6.33 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.913 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -20.99 66.41 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 124.596 1.185 . . . . 0.0 110.953 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -75.8 -59.18 3.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 C-N-CA 128.141 2.576 . . . . 0.0 110.91 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.0 mm -56.12 -47.66 80.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 O-C-N 125.197 1.561 . . . . 0.0 110.142 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -72.46 -25.87 61.6 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 125.583 1.802 . . . . 0.0 112.325 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.87 -16.09 57.51 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.363 1.04 . . . . 0.0 112.743 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.461 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.3 t80 -101.01 -29.78 11.99 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 124.913 1.383 . . . . 0.0 108.69 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -85.16 -39.99 17.22 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 124.332 1.02 . . . . 0.0 110.148 -176.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.59 -25.76 64.13 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 114.104 -1.407 . . . . 0.0 110.741 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.3 m -83.19 4.29 27.34 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.835 -1.529 . . . . 0.0 113.059 176.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 57.19 61.65 2.48 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 122.362 1.077 . . . . 0.0 111.311 -175.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm 30.64 58.19 0.22 Allowed 'General case' 0 C--N 1.354 0.767 0 C-N-CA 127.925 2.49 . . . . 0.0 112.938 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.0 -138.72 0.35 Allowed 'General case' 0 C--N 1.356 0.885 0 CA-C-N 113.355 -1.748 . . . . 0.0 108.793 -170.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.54 -70.88 0.19 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 119.161 -1.016 . . . . 0.0 109.658 -176.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -66.72 -21.26 66.08 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 112.73 -2.032 . . . . 0.0 110.728 176.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.42 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -80.05 -44.52 19.94 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 125.051 1.469 . . . . 0.0 109.729 -179.171 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.05 -47.52 84.32 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.846 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.76 -48.82 76.99 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 125.201 1.563 . . . . 0.0 109.706 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -58.35 -33.22 69.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 118.364 -1.334 . . . . 0.0 112.722 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -62.25 -53.57 53.28 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 124.267 0.979 . . . . 0.0 110.028 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.45 -28.94 64.31 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 113.449 -1.705 . . . . 0.0 111.857 -170.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -86.43 -26.1 24.89 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 125.021 1.451 . . . . 0.0 110.13 -176.285 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.6 t -88.44 -6.09 57.86 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 113.637 -1.619 . . . . 0.0 111.823 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -172.05 3.73 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 176.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.94 122.02 39.28 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 113.626 -1.625 . . . . 0.0 107.389 -176.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -173.94 31.64 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.178 0 O-C-N 125.098 1.499 . . . . 0.0 110.344 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.74 179.8 1.61 Allowed 'General case' 0 C--N 1.351 0.647 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.437 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -157.35 50.49 0.45 Allowed 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.001 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.845 0 CA-C-N 114.103 -1.408 . . . . 0.0 110.778 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.503 0.192 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.25 6.96 5.38 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 125.115 1.509 . . . . 0.0 112.518 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -19.72 49.86 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 125.533 1.77 . . . . 0.0 113.122 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.72 -41.87 87.21 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.861 1.35 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.38 -15.61 60.45 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 112.778 -2.01 . . . . 0.0 110.66 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.5 mm -77.11 -23.57 14.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 C-N-CA 118.629 -1.228 . . . . 0.0 112.3 -172.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -89.84 -15.5 32.11 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 124.377 1.048 . . . . 0.0 110.89 173.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -53.42 5.59 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 124.71 1.256 . . . . 0.0 109.793 -176.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 23' ' ' TYR . 11.6 mt -58.26 -47.77 82.54 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 126.529 2.393 . . . . 0.0 108.543 175.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -62.41 -33.75 75.39 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 119.343 -0.943 . . . . 0.0 112.686 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.07 -19.2 65.77 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 124.149 0.906 . . . . 0.0 112.601 -175.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.4 mp -77.7 4.37 11.72 Favored 'General case' 0 CA--C 1.561 1.384 0 O-C-N 124.144 0.902 . . . . 0.0 111.839 175.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.06 27.22 7.92 Favored Glycine 0 C--N 1.357 1.709 0 O-C-N 123.636 0.585 . . . . 0.0 112.858 175.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 10.7 m-30 -109.49 -145.11 0.39 Allowed 'General case' 0 CA--C 1.548 0.888 0 O-C-N 124.873 0.984 . . . . 0.0 108.77 -172.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -158.9 140.94 13.76 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -52.7 -17.86 1.53 Allowed 'General case' 0 CA--C 1.56 1.332 0 O-C-N 125.216 1.572 . . . . 0.0 113.714 -174.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.56 -53.97 6.09 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.968 177.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -21.95 66.7 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 124.449 1.093 . . . . 0.0 111.162 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -74.9 -59.74 3.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 C-N-CA 127.93 2.492 . . . . 0.0 110.864 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mm -55.58 -46.34 79.12 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 O-C-N 125.136 1.522 . . . . 0.0 110.422 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -72.04 -29.21 63.94 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 125.962 2.038 . . . . 0.0 112.048 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.54 -16.79 59.53 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 124.12 0.888 . . . . 0.0 112.486 176.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.1 t80 -98.4 -39.76 8.62 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 124.863 1.352 . . . . 0.0 108.381 -177.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -74.11 -41.51 61.52 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 125.052 1.47 . . . . 0.0 110.799 -177.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.68 -25.09 63.72 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.607 1.192 . . . . 0.0 110.583 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -84.04 4.52 29.66 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 114.16 -1.382 . . . . 0.0 113.099 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 61.28 59.21 1.99 Allowed 'General case' 0 C--N 1.359 0.983 0 CA-C-O 122.148 0.975 . . . . 0.0 110.383 -176.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.99 50.97 0.37 Allowed 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 113.244 -1.798 . . . . 0.0 114.101 175.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -96.61 -144.08 0.28 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 113.207 -1.815 . . . . 0.0 108.194 -172.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -146.13 -72.85 0.23 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-O 121.495 0.664 . . . . 0.0 109.534 -177.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.78 -23.19 67.1 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.13 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.48 -43.34 23.38 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 124.859 1.349 . . . . 0.0 109.26 -178.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.02 -47.49 84.52 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 113.462 -1.699 . . . . 0.0 111.633 -178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.88 -49.61 72.9 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 124.987 1.43 . . . . 0.0 109.624 175.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -56.41 -36.74 69.28 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 118.382 -1.327 . . . . 0.0 112.94 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.94 -53.34 59.05 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 124.138 0.899 . . . . 0.0 110.592 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.83 -28.75 64.85 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 113.741 -1.572 . . . . 0.0 111.75 -170.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -87.45 -24.8 24.03 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 124.97 1.419 . . . . 0.0 109.955 -176.746 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 m -78.53 -30.05 46.82 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.901 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -81.87 98.8 8.69 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 125.058 1.473 . . . . 0.0 109.033 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -47.13 129.78 12.44 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.947 171.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -175.74 84.96 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 111.888 -2.414 . . . . 0.0 107.771 -174.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.1 p30 -149.44 79.59 1.39 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 112.714 -2.039 . . . . 0.0 109.612 177.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -26.98 16.14 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 113.924 -1.489 . . . . 0.0 112.422 176.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 . . . . . 0 CA--C 1.552 1.046 0 O-C-N 124.471 1.107 . . . . 0.0 110.208 173.608 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 121.091 0.472 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.438 ' CB ' ' HZ1' ' A' ' 28' ' ' LYS . 5.5 tp10 84.18 -5.99 1.06 Allowed 'General case' 0 C--N 1.355 0.835 0 O-C-N 126.001 2.063 . . . . 0.0 112.697 179.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -19.74 3.96 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 125.307 1.63 . . . . 0.0 114.229 -176.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -49.73 61.54 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 113.724 -1.58 . . . . 0.0 109.861 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.1 -18.72 63.26 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 113.148 -1.842 . . . . 0.0 110.913 176.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 mt -69.37 -45.56 78.58 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 C-N-CA 118.828 -1.149 . . . . 0.0 111.056 -175.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -66.99 -18.96 65.63 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 119.14 -1.024 . . . . 0.0 112.353 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -57.59 3.53 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 124.729 1.268 . . . . 0.0 110.256 -177.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.412 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 8.2 mt -47.39 -50.63 22.0 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 127.262 2.225 . . . . 0.0 109.329 173.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -63.62 -36.61 84.37 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.57 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.74 -19.7 65.81 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.222 -1.353 . . . . 0.0 112.717 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.431 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.3 mp -77.44 4.72 10.32 Favored 'General case' 0 CA--C 1.561 1.379 0 O-C-N 124.137 0.898 . . . . 0.0 111.689 175.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.18 22.42 9.92 Favored Glycine 0 C--N 1.359 1.827 0 O-C-N 123.772 0.67 . . . . 0.0 112.749 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 7.1 m-30 -106.63 -145.3 0.39 Allowed 'General case' 0 C--N 1.358 0.954 0 O-C-N 124.983 1.049 . . . . 0.0 108.719 -173.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -162.47 141.06 8.89 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -46.01 -25.96 0.65 Allowed 'General case' 0 CA--C 1.556 1.193 0 O-C-N 125.3 1.625 . . . . 0.0 114.539 -175.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.15 -51.72 8.64 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.849 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -18.01 64.87 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 118.695 -1.202 . . . . 0.0 110.878 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.5 t -78.98 -58.44 4.01 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 C-N-CA 126.824 2.05 . . . . 0.0 110.498 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.2 mm -60.07 -48.47 87.8 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 O-C-N 125.49 1.744 . . . . 0.0 110.552 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -25.6 65.87 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 125.824 1.953 . . . . 0.0 111.769 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.58 -19.28 38.79 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.559 1.162 . . . . 0.0 112.474 176.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.455 ' CD1' ' CB ' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -96.35 -22.56 17.11 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 124.908 1.38 . . . . 0.0 109.034 -179.299 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.3 -36.24 12.06 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 123.82 0.7 . . . . 0.0 109.537 -177.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.2 -26.69 64.0 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 124.855 1.347 . . . . 0.0 110.808 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -84.45 5.31 27.85 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 124.895 1.372 . . . . 0.0 112.657 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 56.32 60.02 3.37 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.871 0.843 . . . . 0.0 111.503 -175.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HZ1' ' CB ' ' A' ' 2' ' ' GLU . 1.4 mmmp? 27.49 54.79 0.07 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 127.837 2.455 . . . . 0.0 113.176 174.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.59 -27.21 14.12 Favored 'General case' 0 C--N 1.36 1.054 0 CA-C-N 113.49 -1.686 . . . . 0.0 111.752 -168.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 91.28 -65.52 0.01 OUTLIER 'General case' 0 C--N 1.351 0.66 0 O-C-N 125.893 1.996 . . . . 0.0 111.513 171.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.9 -23.33 66.61 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.621 -1.627 . . . . 0.0 111.114 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.97 -34.83 17.94 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.977 1.423 . . . . 0.0 109.172 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.455 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . . . -63.28 -44.5 94.9 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 113.492 -1.685 . . . . 0.0 111.608 -177.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.43 -48.02 75.07 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 125.091 1.494 . . . . 0.0 109.658 174.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -57.28 -33.9 68.12 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.903 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -60.22 -56.15 25.09 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.572 1.17 . . . . 0.0 109.92 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -70.27 -31.33 68.64 Favored 'General case' 0 CA--C 1.552 1.039 0 O-C-N 124.644 1.215 . . . . 0.0 112.161 -169.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.413 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.19 -24.56 34.88 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 124.995 1.434 . . . . 0.0 110.006 -176.058 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 t -68.9 -24.96 64.37 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.407 -1.724 . . . . 0.0 111.825 176.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -83.81 78.09 9.77 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.826 1.329 . . . . 0.0 109.052 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.65 132.38 48.8 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 112.731 -2.031 . . . . 0.0 109.66 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -176.78 130.04 0.19 Allowed 'General case' 0 C--N 1.347 0.463 0 CA-C-N 113.121 -1.854 . . . . 0.0 108.324 -172.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 t70 75.51 -3.39 2.59 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 112.651 -2.068 . . . . 0.0 112.676 175.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 50.73 49.11 21.61 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.947 1.299 . . . . 0.0 112.123 -178.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.355 0.808 0 CA-C-N 113.614 -1.63 . . . . 0.0 110.15 -173.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 . . . . . 0 CA--C 1.54 0.558 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -123.73 11.91 9.14 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 124.98 1.425 . . . . 0.0 111.064 -177.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -19.82 55.74 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 125.123 1.514 . . . . 0.0 112.71 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.12 -38.9 92.14 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.714 -1.584 . . . . 0.0 111.718 174.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.76 -15.85 60.21 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 113.717 -1.583 . . . . 0.0 110.698 176.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.8 mm -75.84 -25.32 17.17 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 C-N-CA 118.192 -1.403 . . . . 0.0 112.174 -173.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -88.5 -14.3 38.16 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.526 1.141 . . . . 0.0 111.153 174.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -53.24 5.21 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.747 1.279 . . . . 0.0 109.947 -177.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 23' ' ' TYR . 11.9 mt -56.28 -48.0 77.5 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 126.477 2.361 . . . . 0.0 108.568 174.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -61.42 -36.58 80.74 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.681 -1.145 . . . . 0.0 113.203 174.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.1 -18.89 65.64 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 124.393 1.058 . . . . 0.0 112.802 -175.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.45 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 1.9 mp -77.21 4.65 10.02 Favored 'General case' 0 CA--C 1.559 1.291 0 O-C-N 124.253 0.97 . . . . 0.0 111.967 176.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.65 26.51 8.54 Favored Glycine 0 C--N 1.358 1.792 0 O-C-N 123.844 0.715 . . . . 0.0 112.673 176.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 9.4 m-30 -109.54 -146.08 0.4 Allowed 'General case' 0 C--N 1.358 0.951 0 O-C-N 125.112 1.125 . . . . 0.0 108.876 -173.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -159.76 140.99 12.62 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -176.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -49.49 -19.68 0.6 Allowed 'General case' 0 CA--C 1.556 1.182 0 O-C-N 125.72 1.887 . . . . 0.0 114.197 -174.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.91 -53.9 5.77 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -21.27 66.75 Favored 'General case' 0 C--N 1.36 1.041 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 178.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -73.55 -58.68 4.4 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 C-N-CA 127.969 2.508 . . . . 0.0 111.265 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.1 mm -56.84 -49.27 79.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 125.215 1.572 . . . . 0.0 110.189 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -66.87 -28.12 68.07 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 125.941 2.025 . . . . 0.0 112.402 177.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.41 -12.83 59.52 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.246 0.966 . . . . 0.0 113.222 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.463 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.4 t80 -105.48 -25.68 12.23 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 125.027 1.455 . . . . 0.0 109.487 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.62 -42.85 12.4 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.546 1.154 . . . . 0.0 109.418 -177.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.92 -26.16 63.08 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 113.702 -1.59 . . . . 0.0 110.974 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.3 5.38 20.32 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 113.769 -1.56 . . . . 0.0 112.596 174.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 54.95 63.7 2.04 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.624 0.726 . . . . 0.0 111.216 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.44 63.31 0.18 Allowed 'General case' 0 C--N 1.352 0.68 0 CA-C-N 112.94 -1.936 . . . . 0.0 113.17 175.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.4 -171.32 1.86 Allowed 'General case' 0 C--N 1.349 0.566 0 CA-C-N 112.698 -2.047 . . . . 0.0 107.69 -177.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -119.67 -73.3 0.65 Allowed 'General case' 0 C--N 1.349 0.563 0 O-C-N 124.328 1.018 . . . . 0.0 110.006 -174.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -62.24 -21.51 65.22 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.657 -1.61 . . . . 0.0 111.071 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -43.92 21.27 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 125.16 1.538 . . . . 0.0 109.584 -177.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.44 85.98 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 113.235 -1.802 . . . . 0.0 111.921 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.84 -48.78 77.26 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 125.035 1.459 . . . . 0.0 110.081 174.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.3 -32.96 67.18 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 118.397 -1.321 . . . . 0.0 112.614 178.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -66.02 -47.79 73.26 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 124.18 0.925 . . . . 0.0 110.736 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -79.87 -20.13 46.62 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.539 -170.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -92.8 -27.53 17.12 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 125.15 1.531 . . . . 0.0 109.42 -178.575 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 t -82.67 -40.58 20.48 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 113.119 -1.855 . . . . 0.0 111.48 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 38.04 92.94 0.01 OUTLIER 'General case' 0 C--N 1.357 0.92 0 O-C-N 125.826 1.954 . . . . 0.0 112.201 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.58 126.94 29.19 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.67 -175.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -178.88 67.9 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 O-C-N 125.553 1.783 . . . . 0.0 108.323 -175.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.62 32.38 0.02 OUTLIER 'General case' 0 C--N 1.351 0.672 0 CA-C-N 114.105 -1.407 . . . . 0.0 111.064 176.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 66.93 41.18 2.81 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 124.346 1.029 . . . . 0.0 111.229 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 . . . . . 0 CA--C 1.553 1.088 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.732 177.859 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 121.955 0.883 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.68 4.28 54.02 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 112.752 -2.022 . . . . 0.0 111.693 -177.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -21.25 25.41 Favored 'General case' 0 C--N 1.361 1.083 0 O-C-N 125.09 1.494 . . . . 0.0 114.035 -175.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -44.34 93.91 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 113.249 -1.796 . . . . 0.0 111.837 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.98 -14.87 60.23 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 113.364 -1.744 . . . . 0.0 111.335 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.7 mt -76.59 -21.53 15.0 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 117.643 -1.623 . . . . 0.0 111.636 -174.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -89.36 -15.69 32.74 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.102 0.876 . . . . 0.0 110.747 174.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -54.09 4.75 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.722 1.264 . . . . 0.0 109.502 -176.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' A' ' 23' ' ' TYR . 9.8 mt -54.91 -47.76 73.93 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 126.359 2.287 . . . . 0.0 108.649 173.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -64.3 -34.11 77.38 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 118.741 -1.184 . . . . 0.0 112.953 174.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.2 -19.19 65.86 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 124.175 0.922 . . . . 0.0 112.771 -176.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.1 mp -77.22 4.95 9.33 Favored 'General case' 0 CA--C 1.558 1.28 0 O-C-N 124.216 0.948 . . . . 0.0 112.08 176.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.41 27.15 9.41 Favored Glycine 0 C--N 1.356 1.662 0 O-C-N 123.71 0.631 . . . . 0.0 112.385 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 10.7 m-30 -108.12 -144.09 0.38 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -173.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -161.5 140.49 9.89 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -50.49 -20.12 1.06 Allowed 'General case' 0 CA--C 1.552 1.049 0 O-C-N 125.804 1.94 . . . . 0.0 113.806 -172.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -80.83 -56.21 4.28 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.592 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -20.31 64.59 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 118.576 -1.25 . . . . 0.0 111.813 178.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -73.61 -61.39 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.5 0 O-C-N 126.158 2.161 . . . . 0.0 110.932 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.3 mm -56.32 -49.52 76.27 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 O-C-N 125.292 1.62 . . . . 0.0 110.108 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -65.75 -26.45 67.73 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 126.058 2.099 . . . . 0.0 112.061 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.37 -11.66 55.9 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.108 0.88 . . . . 0.0 113.17 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.472 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.3 t80 -106.4 -16.6 14.51 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 124.583 1.177 . . . . 0.0 109.336 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.55 -41.06 7.12 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 124.282 0.989 . . . . 0.0 109.105 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.33 -25.62 62.48 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.712 1.257 . . . . 0.0 110.942 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.428 ' HG ' ' HA ' ' A' ' 33' ' ' ALA . 1.2 m -84.03 4.75 28.6 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 114.058 -1.428 . . . . 0.0 112.506 174.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 55.78 60.53 3.23 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 124.239 0.962 . . . . 0.0 110.722 -176.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.47 53.19 0.05 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.561 1.544 . . . . 0.0 113.886 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.81 -25.56 16.58 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.485 -1.688 . . . . 0.0 111.411 -171.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 87.91 -67.75 0.02 OUTLIER 'General case' 0 C--N 1.354 0.789 0 O-C-N 126.086 2.116 . . . . 0.0 110.728 173.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -22.8 66.9 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 113.742 -1.572 . . . . 0.0 111.106 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.77 -31.23 18.48 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 125.04 1.462 . . . . 0.0 109.296 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HA ' ' HG ' ' A' ' 26' ' ' CYS . . . -64.71 -44.12 91.26 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 113.623 -1.626 . . . . 0.0 111.88 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.25 76.86 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 125.01 1.444 . . . . 0.0 109.531 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -56.2 -37.18 69.28 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 118.762 -1.175 . . . . 0.0 112.67 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -60.61 -50.08 74.94 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 121.707 0.765 . . . . 0.0 111.144 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -73.4 -29.38 62.56 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.76 -1.564 . . . . 0.0 111.713 -170.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -88.49 -23.85 23.12 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 125.142 1.526 . . . . 0.0 109.799 -175.594 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m -75.26 -32.35 61.04 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 113.453 -1.703 . . . . 0.0 111.171 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -108.92 104.68 13.97 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 125.173 1.546 . . . . 0.0 107.778 -175.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.4 131.43 35.6 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 113.977 -1.465 . . . . 0.0 108.576 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -174.94 89.05 0.05 OUTLIER 'General case' 0 C--N 1.352 0.68 0 O-C-N 125.137 1.523 . . . . 0.0 108.411 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -154.84 -59.72 0.11 Allowed 'General case' 0 C--N 1.352 0.679 0 C-N-CA 118.921 -1.111 . . . . 0.0 110.145 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 p30 44.54 34.28 1.08 Allowed 'General case' 0 C--N 1.364 1.221 0 O-C-N 125.49 1.744 . . . . 0.0 113.825 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.893 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.652 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.222 -0.354 0 CA-C-O 121.369 0.604 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -117.09 -7.78 11.27 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 113.357 -1.747 . . . . 0.0 112.073 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.408 ' HA ' ' CD1' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -56.69 -18.28 11.79 Favored 'General case' 0 C--N 1.357 0.926 0 O-C-N 125.584 1.802 . . . . 0.0 113.907 176.658 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.3 -42.17 75.8 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 124.753 1.283 . . . . 0.0 111.915 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.28 -16.49 59.78 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 112.981 -1.918 . . . . 0.0 110.187 176.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 3' ' ' LYS . 34.1 mt -71.8 -43.46 69.41 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.786 -173.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -69.25 -17.15 63.73 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.947 0.78 . . . . 0.0 112.537 176.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -56.79 3.75 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.583 1.177 . . . . 0.0 110.165 179.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 8.9 mt -49.48 -50.38 41.63 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 126.931 2.092 . . . . 0.0 109.393 174.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -63.88 -35.82 81.92 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.599 177.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.54 -19.62 65.82 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.69 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.0 mp -77.4 4.87 9.89 Favored 'General case' 0 CA--C 1.56 1.337 0 O-C-N 124.081 0.863 . . . . 0.0 111.803 175.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.68 23.27 9.51 Favored Glycine 0 C--N 1.358 1.765 0 O-C-N 123.807 0.692 . . . . 0.0 112.706 176.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.448 ' CZ ' HD21 ' A' ' 38' ' ' LEU . 7.5 m-30 -107.11 -146.02 0.39 Allowed 'General case' 0 C--N 1.357 0.914 0 O-C-N 125.118 1.128 . . . . 0.0 108.608 -173.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -161.23 140.55 10.3 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -176.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -44.16 -26.51 0.31 Allowed 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.239 1.816 . . . . 0.0 114.782 -176.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.48 -50.7 8.56 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.732 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -19.24 65.62 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 118.787 -1.165 . . . . 0.0 110.626 177.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -77.67 -58.35 4.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 C-N-CA 126.979 2.112 . . . . 0.0 110.547 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.9 mm -59.39 -46.82 92.32 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.534 0 O-C-N 125.567 1.792 . . . . 0.0 110.841 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -68.7 -30.06 68.63 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 125.652 1.845 . . . . 0.0 111.577 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.83 -17.85 56.96 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 124.482 1.114 . . . . 0.0 112.608 176.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.402 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.3 t80 -96.82 -28.41 14.26 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 125.219 1.575 . . . . 0.0 108.72 -178.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.93 -38.72 15.34 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 124.036 0.835 . . . . 0.0 110.143 -175.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.47 -26.4 64.55 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 113.655 -1.612 . . . . 0.0 110.57 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -83.47 4.12 29.19 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 114.085 -1.416 . . . . 0.0 113.035 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 60.39 59.47 2.26 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 122.534 1.159 . . . . 0.0 110.827 -175.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt 32.7 56.1 0.41 Allowed 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 112.604 -2.089 . . . . 0.0 113.393 174.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.28 -156.09 0.55 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 113.79 -1.55 . . . . 0.0 107.931 -172.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -128.33 -79.45 0.57 Allowed 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.538 0.524 . . . . 0.0 109.968 -176.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -62.96 -20.32 65.13 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 113.96 -1.473 . . . . 0.0 111.223 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 tp -79.44 -45.49 19.32 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 125.282 1.613 . . . . 0.0 110.092 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.21 -50.96 72.04 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 112.601 -2.091 . . . . 0.0 111.383 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.8 -49.69 67.77 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 125.203 1.564 . . . . 0.0 110.169 175.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -54.85 -34.23 62.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 119.188 -1.005 . . . . 0.0 113.307 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -58.89 -57.99 10.62 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 124.698 1.249 . . . . 0.0 109.821 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mp -69.16 -31.36 69.95 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.895 1.372 . . . . 0.0 112.437 -169.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.448 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -79.09 -25.63 43.02 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 113.975 -1.466 . . . . 0.0 110.198 -175.215 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.4 t -74.14 -16.62 61.0 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 112.959 -1.928 . . . . 0.0 112.366 177.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -81.12 100.29 8.97 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.516 1.135 . . . . 0.0 108.153 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -71.01 127.63 33.22 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.226 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 179.98 154.65 0.56 Allowed 'General case' 0 C--N 1.35 0.627 0 O-C-N 125.064 1.477 . . . . 0.0 108.666 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.0 t0 65.61 84.97 0.15 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 112.484 -2.144 . . . . 0.0 110.175 174.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -102.71 66.01 0.93 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-N 113.095 -1.866 . . . . 0.0 108.645 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 . . . . . 0 CA--C 1.554 1.111 0 CA-C-N 113.122 -1.854 . . . . 0.0 112.152 174.258 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 121.777 0.799 . . . . 0.0 109.937 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 79.12 -3.12 2.19 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 111.814 -2.448 . . . . 0.0 113.973 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.6 -26.37 0.12 Allowed 'General case' 0 C--N 1.361 1.101 0 C-N-CA 125.725 1.61 . . . . 0.0 115.074 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -51.61 67.56 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 125.08 1.488 . . . . 0.0 112.209 176.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.43 -19.37 60.98 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.194 -1.821 . . . . 0.0 110.326 175.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.8 mt -67.84 -41.85 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 118.777 -1.169 . . . . 0.0 112.137 -175.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -71.34 -17.75 62.42 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.999 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -55.84 4.43 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 124.82 1.325 . . . . 0.0 110.124 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.401 HD12 ' CD1' ' A' ' 23' ' ' TYR . 12.0 mt -48.23 -50.23 30.23 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.407 2.283 . . . . 0.0 108.985 174.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -65.9 -35.79 81.6 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.763 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.5 -19.32 65.76 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 114.501 -1.227 . . . . 0.0 112.878 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.432 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 1.8 mp -75.92 3.3 10.44 Favored 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.144 0.902 . . . . 0.0 111.771 175.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.97 24.18 8.73 Favored Glycine 0 C--N 1.36 1.863 0 O-C-N 123.82 0.7 . . . . 0.0 112.565 176.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 9.5 m-30 -109.21 -145.91 0.4 Allowed 'General case' 0 C--N 1.357 0.919 0 O-C-N 125.244 1.203 . . . . 0.0 108.408 -173.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -163.46 140.8 7.42 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 124.255 0.972 . . . . 0.0 108.579 -174.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -39.4 -30.03 0.06 Allowed 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 127.73 2.412 . . . . 0.0 114.853 -176.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -51.58 8.43 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.236 -178.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -22.3 66.27 Favored 'General case' 0 C--N 1.358 0.96 0 O-C-N 124.488 1.118 . . . . 0.0 110.719 178.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -73.93 -56.55 8.93 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 C-N-CA 127.34 2.256 . . . . 0.0 111.062 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.2 mm -59.67 -46.74 93.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 125.578 1.798 . . . . 0.0 110.647 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -70.12 -29.2 66.08 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 125.755 1.91 . . . . 0.0 111.096 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' CB ' ' HG ' ' A' ' 37' ' ' LEU . . . -78.85 -13.15 59.96 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.279 0.987 . . . . 0.0 113.264 175.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.401 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.6 t80 -102.13 -28.87 12.07 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 124.864 1.353 . . . . 0.0 108.92 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.43 -40.29 14.5 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 124.16 0.913 . . . . 0.0 109.937 -174.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.5 -26.35 63.56 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 113.68 -1.6 . . . . 0.0 110.78 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.452 ' HG ' ' HA ' ' A' ' 33' ' ' ALA . 1.3 m -81.87 4.21 23.23 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.773 -1.558 . . . . 0.0 112.915 174.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 58.29 60.93 2.45 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 122.388 1.09 . . . . 0.0 111.087 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm 30.37 57.21 0.2 Allowed 'General case' 0 C--N 1.354 0.784 0 C-N-CA 128.174 2.59 . . . . 0.0 113.028 174.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -104.95 -149.15 0.41 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.466 -1.697 . . . . 0.0 107.979 -171.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -135.46 -77.14 0.44 Allowed 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.384 0.612 . . . . 0.0 109.991 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -21.3 65.12 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.544 -1.662 . . . . 0.0 111.335 177.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -80.26 -43.63 21.03 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 125.047 1.467 . . . . 0.0 110.22 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.452 ' HA ' ' HG ' ' A' ' 26' ' ' CYS . . . -61.28 -48.01 83.37 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 112.662 -2.063 . . . . 0.0 111.753 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.38 -47.58 81.3 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 125.324 1.64 . . . . 0.0 109.617 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -57.72 -33.75 68.75 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 118.754 -1.178 . . . . 0.0 112.609 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.442 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 8.0 t80 -60.31 -56.27 23.47 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.398 1.061 . . . . 0.0 109.917 176.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.416 ' HG ' ' CB ' ' A' ' 22' ' ' ALA . 1.1 mp -69.0 -29.54 67.76 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.917 1.385 . . . . 0.0 112.587 -170.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.413 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -86.69 -25.26 24.88 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.657 -175.403 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.9 t -79.54 -22.81 43.41 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-N 112.952 -1.931 . . . . 0.0 112.132 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -51.52 99.58 0.02 OUTLIER 'General case' 0 C--N 1.354 0.768 0 O-C-N 124.833 1.333 . . . . 0.0 110.974 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -68.33 131.0 44.57 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 112.576 -2.102 . . . . 0.0 108.991 -175.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -175.74 92.55 0.05 Allowed 'General case' 0 C--N 1.352 0.703 0 CA-C-N 113.951 -1.477 . . . . 0.0 108.963 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -178.54 134.43 0.14 Allowed 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.661 1.225 . . . . 0.0 109.098 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.97 92.91 0.07 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.428 -1.26 . . . . 0.0 108.902 177.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? . . . . . 0 C--N 1.354 0.767 0 CA-C-N 113.6 -1.636 . . . . 0.0 110.826 177.801 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 CA--C 1.543 0.674 0 CA-C-O 121.267 0.556 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.02 29.81 0.01 OUTLIER 'General case' 0 C--N 1.354 0.785 0 CA-C-N 114.144 -1.389 . . . . 0.0 111.155 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -61.2 -20.84 63.25 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 124.608 1.193 . . . . 0.0 113.656 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -35.78 78.42 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 113.996 -1.456 . . . . 0.0 111.377 177.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.31 -15.74 60.47 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 112.942 -1.935 . . . . 0.0 110.845 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.5 mm -72.92 -27.93 25.81 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 C-N-CA 118.545 -1.262 . . . . 0.0 112.01 -176.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.98 -14.97 45.84 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.932 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.3 -54.69 4.29 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 125.016 1.447 . . . . 0.0 110.121 -177.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.44 HD12 ' CD1' ' A' ' 23' ' ' TYR . 9.7 mt -52.76 -50.17 64.05 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 126.134 2.146 . . . . 0.0 109.324 174.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -63.5 -34.18 77.22 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.16 -19.68 65.91 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 124.688 1.243 . . . . 0.0 112.719 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 1.8 mp -77.23 4.96 9.34 Favored 'General case' 0 CA--C 1.557 1.25 0 O-C-N 124.161 0.913 . . . . 0.0 111.97 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.95 13.94 24.11 Favored Glycine 0 C--N 1.359 1.844 0 O-C-N 124.039 0.837 . . . . 0.0 112.836 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 6.0 m-30 -99.46 -147.48 0.34 Allowed 'General case' 0 C--N 1.353 0.723 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -171.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -160.01 140.32 11.77 Favored 'General case' 0 C--N 1.347 0.473 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -176.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -43.38 -25.37 0.14 Allowed 'General case' 0 CA--C 1.555 1.147 0 O-C-N 125.962 2.039 . . . . 0.0 114.492 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.84 -53.15 6.73 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.04 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.22 -19.16 65.5 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 124.564 1.165 . . . . 0.0 111.492 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.6 -56.86 6.71 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 C-N-CA 128.277 2.631 . . . . 0.0 110.613 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.3 mm -58.01 -51.85 65.64 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 O-C-N 125.071 1.482 . . . . 0.0 109.806 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.24 -25.55 66.95 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 125.852 1.97 . . . . 0.0 112.415 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -80.93 -17.16 51.46 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 176.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CD1' ' CB ' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -101.69 -22.27 14.47 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 124.929 1.393 . . . . 0.0 109.421 -178.5 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -93.24 -38.25 11.63 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 123.87 0.731 . . . . 0.0 109.899 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.49 -26.48 63.63 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 124.913 1.383 . . . . 0.0 111.031 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -82.97 4.3 26.46 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.435 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 56.77 59.0 3.73 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 122.015 0.912 . . . . 0.0 111.696 -175.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm 30.86 51.21 0.11 Allowed 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 112.593 -2.094 . . . . 0.0 113.445 173.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.59 -26.69 15.67 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 113.302 -1.772 . . . . 0.0 111.334 -169.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 89.83 -67.7 0.01 OUTLIER 'General case' 0 C--N 1.353 0.735 0 O-C-N 125.569 1.793 . . . . 0.0 111.696 173.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -22.93 67.09 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.035 -1.893 . . . . 0.0 110.987 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -33.57 18.43 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 125.03 1.456 . . . . 0.0 109.434 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.469 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . . . -64.43 -43.59 93.85 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 113.602 -1.635 . . . . 0.0 111.627 -178.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.93 -47.29 80.98 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 113.965 -1.47 . . . . 0.0 109.83 173.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -56.99 -35.23 68.95 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 118.637 -1.225 . . . . 0.0 112.834 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.401 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 6.5 t80 -62.0 -51.83 66.47 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 124.044 0.84 . . . . 0.0 110.871 178.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.66 -29.07 63.12 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 113.496 -1.684 . . . . 0.0 111.937 -170.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -87.88 -25.54 23.21 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.112 -1.404 . . . . 0.0 110.496 -175.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.8 t -78.49 -15.37 58.69 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 113.076 -1.874 . . . . 0.0 111.164 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -75.37 -169.19 0.94 Allowed 'General case' 0 C--N 1.358 0.941 0 O-C-N 124.845 1.34 . . . . 0.0 109.916 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -108.49 124.47 50.48 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 113.516 -1.675 . . . . 0.0 107.51 -176.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.4 t80 174.05 158.63 0.15 Allowed 'General case' 0 CA--C 1.546 0.81 0 O-C-N 125.647 1.842 . . . . 0.0 108.349 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -90.36 77.92 6.52 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.73 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -83.5 6.04 21.82 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 114.585 -1.189 . . . . 0.0 112.857 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--N 1.356 0.886 0 O-C-N 125.013 1.446 . . . . 0.0 108.26 -175.275 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 . . . . . 0 C--O 1.223 -0.33 0 CA-C-O 121.885 0.85 . . . . 0.0 108.852 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 84.2 -12.69 0.77 Allowed 'General case' 0 C--N 1.349 0.553 0 CA-C-N 112.442 -2.163 . . . . 0.0 113.288 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -20.61 3.29 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 125.537 1.773 . . . . 0.0 114.245 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -45.58 78.16 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 113.796 -1.547 . . . . 0.0 111.034 -178.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.16 -20.03 57.93 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 112.458 -2.156 . . . . 0.0 110.331 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.8 -41.93 85.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 118.415 -1.314 . . . . 0.0 111.087 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.96 -17.67 62.65 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 119.865 -0.734 . . . . 0.0 112.868 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -55.66 4.45 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.606 1.191 . . . . 0.0 110.053 -178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.451 HD12 ' CD1' ' A' ' 23' ' ' TYR . 10.1 mt -50.0 -49.66 49.91 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.376 2.27 . . . . 0.0 109.107 174.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -64.42 -35.2 80.14 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.742 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.77 -19.23 65.71 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.809 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.456 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.1 mp -77.89 5.11 10.33 Favored 'General case' 0 CA--C 1.562 1.408 0 O-C-N 124.143 0.902 . . . . 0.0 111.83 175.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.17 24.99 8.57 Favored Glycine 0 C--N 1.359 1.858 0 O-C-N 123.646 0.591 . . . . 0.0 112.868 175.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 9.0 m-30 -109.46 -145.98 0.4 Allowed 'General case' 0 C--N 1.357 0.904 0 O-C-N 125.019 1.07 . . . . 0.0 108.584 -173.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -162.61 141.21 8.76 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 124.209 0.943 . . . . 0.0 108.872 -175.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -45.49 -25.78 0.48 Allowed 'General case' 0 CA--C 1.555 1.152 0 O-C-N 125.687 1.867 . . . . 0.0 114.619 -172.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -78.68 -53.52 7.06 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.917 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -21.89 66.01 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 124.413 1.071 . . . . 0.0 111.443 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -72.12 -57.92 6.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 C-N-CA 127.828 2.451 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.1 mt -56.61 -51.68 62.93 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 O-C-N 125.381 1.676 . . . . 0.0 110.288 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -65.4 -25.76 67.69 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 125.529 1.768 . . . . 0.0 112.312 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.47 -15.5 54.83 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 124.418 1.074 . . . . 0.0 112.517 177.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.5 t80 -103.21 -29.01 11.56 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 125.001 1.438 . . . . 0.0 109.5 -178.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.91 -42.57 12.41 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 124.799 1.312 . . . . 0.0 109.526 -172.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.88 -25.85 62.98 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 113.392 -1.731 . . . . 0.0 110.535 175.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.451 ' HG ' ' HA ' ' A' ' 33' ' ' ALA . 1.3 m -78.15 -0.93 30.22 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 113.569 -1.651 . . . . 0.0 113.26 174.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 63.12 61.06 1.12 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-O 122.051 0.929 . . . . 0.0 110.817 -176.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.04 42.67 0.71 Allowed 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 112.903 -1.953 . . . . 0.0 113.504 174.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.437 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 1.4 t-20 -92.35 -151.99 0.3 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 113.107 -1.86 . . . . 0.0 107.818 -172.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -142.86 -70.78 0.32 Allowed 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 118.888 0.767 . . . . 0.0 109.254 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -23.67 67.51 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 113.088 -1.869 . . . . 0.0 110.927 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -43.26 33.25 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 125.154 1.533 . . . . 0.0 108.942 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.451 ' HA ' ' HG ' ' A' ' 26' ' ' CYS . . . -63.43 -45.35 91.32 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 113.025 -1.898 . . . . 0.0 111.656 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.42 72.48 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 125.496 1.747 . . . . 0.0 109.474 172.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -35.61 65.77 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 118.869 -1.133 . . . . 0.0 112.518 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.91 -53.83 48.05 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 123.995 0.809 . . . . 0.0 109.958 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.6 -14.24 60.37 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 114.031 -1.44 . . . . 0.0 112.563 -171.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.41 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -95.13 -25.79 16.28 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 124.186 0.929 . . . . 0.0 108.572 178.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -104.47 22.65 14.56 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 112.772 -2.013 . . . . 0.0 111.96 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -36.64 102.23 0.02 OUTLIER 'General case' 0 C--N 1.364 1.201 0 O-C-N 125.132 1.52 . . . . 0.0 111.692 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -60.39 131.66 51.46 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 112.947 -1.933 . . . . 0.0 109.966 -173.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -169.81 60.27 0.04 OUTLIER 'General case' 0 C--N 1.35 0.615 0 CA-C-N 113.078 -1.874 . . . . 0.0 108.296 -172.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -164.06 -160.94 0.58 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.263 177.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.59 49.87 0.98 Allowed 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.403 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 . . . . . 0 C--N 1.354 0.802 0 CA-C-N 113.94 -1.482 . . . . 0.0 110.876 176.921 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 121.461 0.648 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -123.12 -2.19 8.66 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 113.26 -1.791 . . . . 0.0 111.951 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.75 -23.84 3.0 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 125.146 1.529 . . . . 0.0 114.152 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.88 -49.83 73.27 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 124.866 1.354 . . . . 0.0 111.824 175.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.63 -17.97 62.23 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.566 177.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.7 mt -65.47 -45.56 92.5 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 C-N-CA 119.511 -0.875 . . . . 0.0 111.71 -175.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.7 -18.64 63.55 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 124.807 1.317 . . . . 0.0 111.903 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -79.98 -53.34 6.82 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 125.103 1.502 . . . . 0.0 110.226 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 23' ' ' TYR . 10.7 mt -52.6 -45.19 66.44 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 126.465 2.353 . . . . 0.0 108.411 173.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -34.97 78.12 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.802 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.29 -18.04 65.03 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 124.881 1.363 . . . . 0.0 112.78 -178.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.435 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.3 mp -77.06 4.07 10.99 Favored 'General case' 0 CA--C 1.559 1.314 0 O-C-N 124.262 0.976 . . . . 0.0 111.879 175.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.38 25.14 8.96 Favored Glycine 0 C--N 1.358 1.803 0 O-C-N 124.03 0.831 . . . . 0.0 112.946 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 10.4 m-30 -108.58 -143.14 0.38 Allowed 'General case' 0 C--N 1.358 0.978 0 O-C-N 125.067 1.098 . . . . 0.0 109.291 -172.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -158.32 136.61 10.86 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 124.18 0.925 . . . . 0.0 108.658 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -43.78 -25.25 0.17 Allowed 'General case' 0 CA--C 1.557 1.225 0 O-C-N 125.704 1.877 . . . . 0.0 114.034 -176.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.0 m -79.13 -52.77 7.74 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.796 0.685 . . . . 0.0 111.664 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.57 -20.11 65.94 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 118.775 -1.17 . . . . 0.0 110.886 176.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.4 t -73.51 -54.49 15.26 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 C-N-CA 126.785 2.034 . . . . 0.0 110.481 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.5 mt -60.42 -54.2 38.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 O-C-N 125.619 1.825 . . . . 0.0 109.679 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -17.87 61.76 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 125.23 1.581 . . . . 0.0 112.836 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -91.5 -15.65 28.44 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 124.426 1.079 . . . . 0.0 113.126 176.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CD1' HD12 ' A' ' 9' ' ' LEU . 2.1 t80 -111.09 -6.54 14.6 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 125.268 1.605 . . . . 0.0 110.404 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.24 -41.56 5.3 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.52 -27.36 63.14 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 113.077 -1.874 . . . . 0.0 110.867 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.4 m -82.6 4.36 25.03 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.532 -1.667 . . . . 0.0 112.428 174.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 56.53 60.9 2.88 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 121.482 0.658 . . . . 0.0 111.418 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.36 57.88 0.66 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 113.321 -1.763 . . . . 0.0 113.045 173.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.46 -160.26 0.77 Allowed 'General case' 0 C--N 1.352 0.693 0 CA-C-N 113.039 -1.891 . . . . 0.0 107.978 -176.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -125.37 -76.36 0.59 Allowed 'General case' 0 C--O 1.219 -0.522 0 O-C-N 123.83 0.706 . . . . 0.0 110.225 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.77 -22.22 63.85 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 113.109 -1.859 . . . . 0.0 111.152 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -45.86 24.13 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 125.363 1.664 . . . . 0.0 109.618 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.401 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . . . -65.65 -44.56 85.96 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 113.351 -1.749 . . . . 0.0 111.499 -176.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.13 78.01 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 125.317 1.636 . . . . 0.0 110.025 173.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.99 -33.78 69.28 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 117.967 -1.493 . . . . 0.0 112.721 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.401 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 6.4 t80 -63.08 -51.62 65.91 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -73.16 -29.63 63.0 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 113.661 -1.609 . . . . 0.0 112.049 -170.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.429 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -85.22 -25.65 27.2 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.055 -175.768 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.1 t -76.36 -28.23 56.72 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 113.249 -1.796 . . . . 0.0 111.63 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -84.61 73.85 10.5 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 125.345 1.653 . . . . 0.0 109.605 176.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -45.06 127.13 6.48 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 113.392 -1.731 . . . . 0.0 111.827 173.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -177.12 146.74 0.52 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-N 112.279 -2.237 . . . . 0.0 109.065 -173.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -109.43 145.37 36.27 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 113.402 -1.726 . . . . 0.0 108.646 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.56 -54.22 5.06 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 124.8 1.313 . . . . 0.0 112.88 -178.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.355 0.834 0 O-C-N 125.333 1.646 . . . . 0.0 110.342 177.889 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 122.302 1.048 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 -101.55 9.14 41.54 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 113.11 -1.859 . . . . 0.0 111.136 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.433 ' HA ' ' CD1' ' A' ' 6' ' ' ILE . 6.1 mttm -66.67 -18.51 65.41 Favored 'General case' 0 C--N 1.361 1.072 0 O-C-N 124.71 1.256 . . . . 0.0 113.034 -173.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.2 -42.09 89.3 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 113.299 -1.773 . . . . 0.0 111.419 177.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.25 -17.96 60.8 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 113.324 -1.762 . . . . 0.0 110.656 175.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.433 ' CD1' ' HA ' ' A' ' 3' ' ' LYS . 71.7 mt -67.18 -48.74 77.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 C-N-CA 118.081 -1.448 . . . . 0.0 111.456 -172.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.63 -15.47 63.2 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 125.164 1.54 . . . . 0.0 112.056 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -54.08 6.24 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.797 1.31 . . . . 0.0 110.599 178.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' A' ' 23' ' ' TYR . 9.3 mt -55.94 -44.8 78.73 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 126.272 2.232 . . . . 0.0 108.385 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -34.73 78.97 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.579 -1.191 . . . . 0.0 112.618 176.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.2 -18.57 65.31 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 114.563 -1.199 . . . . 0.0 112.72 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.8 mp -78.27 4.85 11.71 Favored 'General case' 0 CA--C 1.559 1.299 0 O-C-N 124.15 0.906 . . . . 0.0 111.771 175.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.19 24.24 9.81 Favored Glycine 0 C--N 1.36 1.881 0 O-C-N 123.782 0.677 . . . . 0.0 113.218 176.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 9.6 m-30 -106.09 -142.79 0.37 Allowed 'General case' 0 C--N 1.359 1.017 0 O-C-N 124.786 0.933 . . . . 0.0 109.424 -172.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -157.18 136.89 12.3 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -47.18 -21.82 0.3 Allowed 'General case' 0 CA--C 1.557 1.23 0 O-C-N 125.376 1.672 . . . . 0.0 114.384 -176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -52.02 7.94 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 123.48 0.488 . . . . 0.0 111.363 177.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -19.68 65.27 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 124.283 0.989 . . . . 0.0 111.335 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -72.55 -58.34 5.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 O-C-N 125.916 2.01 . . . . 0.0 110.057 178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.1 mm -57.6 -50.02 78.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 O-C-N 125.127 1.517 . . . . 0.0 111.485 -178.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -67.26 -28.46 68.05 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 125.513 1.758 . . . . 0.0 111.928 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.52 -16.45 55.98 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.406 1.066 . . . . 0.0 112.653 175.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.415 ' CD1' HD13 ' A' ' 9' ' ' LEU . 1.3 t80 -98.99 -26.33 14.28 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 125.077 1.486 . . . . 0.0 109.376 -178.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.41 -38.94 12.96 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 124.124 0.89 . . . . 0.0 109.976 -175.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.52 64.53 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.741 176.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.446 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.2 m -83.15 4.65 25.68 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 113.965 -1.471 . . . . 0.0 112.995 175.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 57.36 59.24 3.42 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 122.375 1.083 . . . . 0.0 111.425 -175.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm 34.18 56.2 0.63 Allowed 'General case' 0 C--N 1.35 0.615 0 CA-C-N 112.124 -2.307 . . . . 0.0 112.676 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -103.03 -144.58 0.36 Allowed 'General case' 0 C--N 1.356 0.851 0 CA-C-N 112.841 -1.981 . . . . 0.0 107.527 -173.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -143.05 -74.73 0.27 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-O 121.436 0.636 . . . . 0.0 109.433 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -22.63 66.21 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.589 -1.642 . . . . 0.0 111.165 177.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.446 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -78.4 -46.31 20.2 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 125.072 1.482 . . . . 0.0 109.55 -178.259 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.93 83.7 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.962 -1.926 . . . . 0.0 111.854 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.82 -47.91 79.21 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 124.953 1.408 . . . . 0.0 109.752 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.59 -36.79 69.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 117.747 -1.581 . . . . 0.0 112.896 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -60.12 -54.46 45.64 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 123.829 0.705 . . . . 0.0 110.47 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.8 -26.86 63.51 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 118.677 -1.209 . . . . 0.0 112.225 -169.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -87.37 -25.83 23.65 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.443 -176.2 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.4 m -75.95 -33.57 59.82 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.101 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.52 99.2 2.45 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 125.03 1.456 . . . . 0.0 108.984 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -59.1 133.36 56.03 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 112.103 -2.317 . . . . 0.0 109.62 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -178.2 130.38 0.13 Allowed 'General case' 0 C--N 1.35 0.629 0 O-C-N 125.752 1.907 . . . . 0.0 108.542 -172.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.7 t70 65.15 13.49 8.76 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 112.772 -2.013 . . . . 0.0 112.477 175.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 172.41 111.27 0.01 OUTLIER 'General case' 0 C--N 1.354 0.786 0 O-C-N 125.29 1.619 . . . . 0.0 107.291 -170.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.13 0 CA-C-N 113.575 -1.648 . . . . 0.0 111.473 178.224 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 . . . . . 0 C--O 1.22 -0.469 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -139.07 4.73 2.28 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 112.737 -2.029 . . . . 0.0 112.624 -173.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -56.54 -17.78 9.55 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 125.449 1.718 . . . . 0.0 113.892 176.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -39.75 74.4 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.786 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.97 -16.83 59.22 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.013 -1.903 . . . . 0.0 110.377 173.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.1 mt -75.3 -24.53 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 118.838 -1.145 . . . . 0.0 112.025 -172.535 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -88.66 -15.7 34.24 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.22 0.95 . . . . 0.0 110.505 175.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -54.87 4.47 Favored 'General case' 0 C--N 1.356 0.861 0 O-C-N 124.626 1.204 . . . . 0.0 110.378 -179.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 23' ' ' TYR . 10.6 mt -53.44 -49.19 67.88 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 126.348 2.28 . . . . 0.0 108.835 173.737 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -62.49 -34.85 77.67 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 119.01 -1.076 . . . . 0.0 113.15 174.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.9 -18.98 65.71 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 124.271 0.982 . . . . 0.0 112.877 -175.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.456 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 2.3 mp -77.61 4.4 11.44 Favored 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.162 0.914 . . . . 0.0 111.932 175.838 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.94 27.05 8.06 Favored Glycine 0 C--N 1.359 1.817 0 O-C-N 123.683 0.614 . . . . 0.0 112.8 175.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 10.2 m-30 -108.42 -145.78 0.4 Allowed 'General case' 0 C--N 1.358 0.938 0 O-C-N 125.095 1.115 . . . . 0.0 108.839 -173.338 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.51 140.89 14.22 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -176.419 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -51.76 -19.06 1.46 Allowed 'General case' 0 CA--C 1.56 1.347 0 O-C-N 125.187 1.554 . . . . 0.0 113.905 -174.183 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -82.11 -52.54 6.9 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 123.405 0.441 . . . . 0.0 110.91 177.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -21.05 66.36 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 118.959 -1.097 . . . . 0.0 110.815 178.098 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.07 -59.41 3.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 C-N-CA 127.068 2.147 . . . . 0.0 110.717 -179.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.4 mm -56.98 -50.54 75.84 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 125.278 1.611 . . . . 0.0 111.082 -178.053 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -67.42 -25.86 66.13 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 125.88 1.987 . . . . 0.0 112.264 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.75 -15.96 55.11 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 124.39 1.056 . . . . 0.0 112.556 175.106 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CD1' HD12 ' A' ' 9' ' ' LEU . 1.5 t80 -104.04 -21.67 13.56 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 125.055 1.472 . . . . 0.0 109.681 -177.474 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.76 -41.35 11.3 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 124.407 1.067 . . . . 0.0 108.817 -177.68 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.13 -25.9 62.78 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-N 113.904 -1.498 . . . . 0.0 111.339 178.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.61 3.51 28.49 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.947 1.404 . . . . 0.0 112.79 175.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 58.97 60.75 2.34 Favored 'General case' 0 C--N 1.359 0.987 0 CA-C-O 121.939 0.876 . . . . 0.0 110.961 -175.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.93 54.3 0.55 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 113.458 -1.701 . . . . 0.0 114.071 175.704 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -100.65 -145.95 0.34 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.345 -1.752 . . . . 0.0 107.543 -174.079 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -145.79 -71.48 0.25 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-O 121.459 0.647 . . . . 0.0 109.647 -175.447 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -23.31 67.38 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 113.7 -1.591 . . . . 0.0 111.093 177.046 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -43.84 19.28 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.849 1.343 . . . . 0.0 109.057 -177.582 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.5 -49.22 78.17 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 112.821 -1.99 . . . . 0.0 111.878 -179.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.65 -49.62 74.5 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 125.008 1.443 . . . . 0.0 109.955 174.553 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.97 -32.87 64.27 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 119.022 -1.071 . . . . 0.0 113.406 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -63.52 -55.4 24.26 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 124.262 0.976 . . . . 0.0 110.009 178.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.66 -29.95 66.43 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 113.765 -1.561 . . . . 0.0 112.03 -169.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.429 HD21 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.83 -27.04 31.12 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 125.133 1.52 . . . . 0.0 110.033 -175.673 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t -73.69 -21.96 60.09 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 113.478 -1.692 . . . . 0.0 111.252 177.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -75.6 103.26 5.63 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.617 1.198 . . . . 0.0 109.081 175.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -55.68 134.82 51.51 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 112.621 -2.081 . . . . 0.0 110.57 178.493 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -177.64 123.96 0.12 Allowed 'General case' 0 CA--C 1.549 0.907 0 O-C-N 125.495 1.747 . . . . 0.0 108.352 -172.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.09 153.38 43.85 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 113.916 -1.493 . . . . 0.0 109.41 178.327 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -133.53 -48.92 0.83 Allowed 'General case' 0 C--N 1.349 0.569 0 O-C-N 124.064 0.853 . . . . 0.0 110.587 -176.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 CA--C 1.551 0.999 0 O-C-N 125.002 1.439 . . . . 0.0 112.589 -176.782 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.452 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.939 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.86 -47.79 73.74 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 114.094 -1.412 . . . . 0.0 111.494 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.61 -17.07 61.72 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 112.617 -2.083 . . . . 0.0 110.89 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.764 HG23 HG11 ' A' ' 19' ' ' VAL . 59.9 mt -64.55 -47.24 89.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 C-N-CA 118.197 -1.401 . . . . 0.0 111.481 -175.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.6 -18.56 65.02 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 125.077 1.486 . . . . 0.0 112.506 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.776 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -79.64 -53.43 6.85 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.103 -175.842 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.789 HD11 ' CD1' ' A' ' 23' ' ' TYR . 8.4 mt -53.8 -44.38 70.1 Favored 'General case' 0 CA--C 1.554 1.102 0 O-C-N 126.385 2.303 . . . . 0.0 109.035 173.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -34.59 77.63 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 114.226 -1.352 . . . . 0.0 112.293 176.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.84 -18.03 64.69 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.842 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.8 mp -77.12 4.2 10.84 Favored 'General case' 0 CA--C 1.559 1.306 0 O-C-N 124.151 0.907 . . . . 0.0 111.87 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.97 25.15 9.22 Favored Glycine 0 C--N 1.357 1.739 0 O-C-N 123.865 0.728 . . . . 0.0 112.903 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.552 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 11.7 m-30 -109.15 -140.68 0.38 Allowed 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.735 0.903 . . . . 0.0 108.969 -171.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 19' ' ' VAL . 24.3 tt0 -161.49 135.99 7.09 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 124.204 0.94 . . . . 0.0 108.753 -176.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -48.1 -19.3 0.26 Allowed 'General case' 0 CA--C 1.56 1.344 0 O-C-N 125.701 1.876 . . . . 0.0 113.934 -174.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -80.96 -54.52 5.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.769 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.711 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.04 -22.16 66.94 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 119.196 -1.002 . . . . 0.0 111.326 178.136 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.764 HG11 HG23 ' A' ' 6' ' ' ILE . 2.8 t -69.74 -57.78 7.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.586 0 C-N-CA 127.179 2.192 . . . . 0.0 110.667 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.9 mt -56.81 -50.82 73.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 125.343 1.652 . . . . 0.0 110.366 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.16 -21.68 65.8 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 125.323 1.639 . . . . 0.0 112.111 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -88.04 -9.22 54.04 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 124.238 0.961 . . . . 0.0 113.276 175.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.789 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.6 t80 -117.74 -2.33 11.41 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 124.747 1.279 . . . . 0.0 110.346 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -111.28 -39.69 4.64 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.76 -26.93 63.57 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 113.851 -1.522 . . . . 0.0 110.519 175.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 36' ' ' PHE . 1.4 m -83.95 7.09 19.43 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 113.508 -1.678 . . . . 0.0 113.037 174.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 56.97 54.2 7.26 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 122.226 1.012 . . . . 0.0 111.249 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm 37.86 58.56 1.41 Allowed 'General case' 0 C--N 1.35 0.63 0 CA-C-N 112.945 -1.934 . . . . 0.0 113.338 170.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -106.85 -146.95 0.4 Allowed 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 113.279 -1.782 . . . . 0.0 107.715 -172.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -135.23 -76.46 0.45 Allowed 'General case' 0 C--N 1.355 0.818 0 C-N-CA 119.707 -0.797 . . . . 0.0 110.077 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -23.41 64.76 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.508 -1.678 . . . . 0.0 111.085 177.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -45.47 35.78 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 125.13 1.519 . . . . 0.0 109.67 -177.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.758 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -62.79 -47.82 81.79 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 113.431 -1.713 . . . . 0.0 111.888 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.99 74.56 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 125.075 1.485 . . . . 0.0 110.074 174.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.87 -32.97 68.2 Favored 'General case' 0 C--O 1.214 -0.811 0 C-N-CA 118.47 -1.292 . . . . 0.0 112.63 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.402 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 5.6 t80 -62.3 -55.2 30.53 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 124.278 0.986 . . . . 0.0 109.93 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -69.32 -29.2 66.99 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 114.306 -1.315 . . . . 0.0 112.14 -171.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -85.94 -25.22 26.2 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.723 -175.909 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.355 0.833 0 CA-C-N 113.47 -1.695 . . . . 0.0 112.184 178.797 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.432 ' HA ' HD12 ' A' ' 6' ' ' ILE . 5.0 ptmt . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.91 -46.27 72.05 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.402 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -70.88 -17.03 62.73 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 116.877 -1.929 . . . . 0.0 110.64 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.731 HD11 HD11 ' A' ' 20' ' ' ILE . 30.6 mt -71.84 -33.47 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 119.156 -1.017 . . . . 0.0 111.57 -173.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 9.7 pt-20 -78.61 -17.75 55.59 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 124.286 0.991 . . . . 0.0 110.959 176.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.759 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -82.6 -54.21 5.34 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 124.858 1.349 . . . . 0.0 110.192 -177.238 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.758 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.4 mt -52.94 -49.78 65.33 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 126.567 2.417 . . . . 0.0 108.693 173.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -63.97 -33.81 76.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 118.972 -1.091 . . . . 0.0 113.09 174.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.08 -18.95 65.68 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 124.351 1.032 . . . . 0.0 112.721 -176.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.3 mp -77.73 5.13 9.98 Favored 'General case' 0 CA--C 1.562 1.413 0 O-C-N 124.224 0.952 . . . . 0.0 111.886 175.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.63 27.33 9.15 Favored Glycine 0 C--N 1.358 1.796 0 O-C-N 123.722 0.639 . . . . 0.0 112.62 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 11.9 m-30 -108.42 -144.82 0.39 Allowed 'General case' 0 C--N 1.358 0.935 0 O-C-N 125.134 1.137 . . . . 0.0 108.671 -173.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.7 tt0 -162.24 141.87 9.67 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.409 1.068 . . . . 0.0 108.923 -175.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.83 -24.99 0.45 Allowed 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 127.256 2.223 . . . . 0.0 114.39 -173.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.06 -50.37 8.03 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.435 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.816 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.91 -20.75 66.33 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 118.784 -1.166 . . . . 0.0 110.513 176.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.633 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -74.86 -60.2 2.6 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.619 0 C-N-CA 127.398 2.279 . . . . 0.0 111.095 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.731 HD11 HD11 ' A' ' 6' ' ' ILE . 5.9 mm -59.36 -46.61 92.42 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 O-C-N 125.509 1.756 . . . . 0.0 110.805 -178.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.82 -28.98 67.23 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 125.737 1.898 . . . . 0.0 111.493 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -78.19 -17.23 57.06 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 124.536 1.148 . . . . 0.0 112.906 175.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.758 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.4 t80 -100.12 -25.45 14.28 Favored 'General case' 0 C--O 1.219 -0.553 0 O-C-N 125.072 1.482 . . . . 0.0 109.071 -177.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.37 -37.92 13.67 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 123.996 0.81 . . . . 0.0 109.95 -175.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.32 -25.22 62.32 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 113.854 -1.521 . . . . 0.0 110.769 176.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.468 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.4 m -84.17 8.68 14.88 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 113.824 -1.535 . . . . 0.0 112.452 173.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 55.47 57.93 4.98 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 122.376 1.084 . . . . 0.0 111.308 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm 33.88 59.14 0.57 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 112.594 -2.093 . . . . 0.0 113.921 174.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -104.87 -143.12 0.37 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 114.242 -1.344 . . . . 0.0 108.639 -170.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -140.61 -75.59 0.33 Allowed 'General case' 0 C--N 1.352 0.705 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.194 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -23.7 64.72 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.217 -1.811 . . . . 0.0 111.052 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -76.82 -45.8 27.26 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 125.194 1.558 . . . . 0.0 109.558 -176.83 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.759 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -61.63 -47.19 86.55 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 113.396 -1.729 . . . . 0.0 111.891 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.82 -48.6 75.13 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 125.195 1.559 . . . . 0.0 109.72 174.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -58.02 -33.56 69.08 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 118.527 -1.269 . . . . 0.0 112.691 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -63.03 -53.34 55.43 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 124.37 1.044 . . . . 0.0 109.785 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.816 HD23 HD12 ' A' ' 18' ' ' LEU . 1.1 mt -70.23 -30.4 67.47 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 113.678 -1.601 . . . . 0.0 112.3 -170.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.568 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -86.7 -26.53 24.22 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 113.821 -1.536 . . . . 0.0 109.725 -175.568 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.357 0.911 0 CA-C-N 113.067 -1.879 . . . . 0.0 112.037 178.222 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.427 ' HA ' HD12 ' A' ' 6' ' ' ILE . 1.8 pttm . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -48.87 74.13 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 113.429 -1.714 . . . . 0.0 110.99 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.64 -17.08 60.11 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-N 112.502 -2.135 . . . . 0.0 110.834 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.718 ' CD1' HD11 ' A' ' 20' ' ' ILE . 27.0 mt -70.83 -41.48 77.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 C-N-CA 117.989 -1.484 . . . . 0.0 111.411 -177.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.83 -18.1 63.43 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 117.965 -1.494 . . . . 0.0 112.385 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.779 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -82.45 -55.52 4.44 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 124.985 1.428 . . . . 0.0 109.925 -176.918 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.749 HD11 ' CD1' ' A' ' 23' ' ' TYR . 11.4 mt -49.71 -50.6 43.34 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 126.348 2.28 . . . . 0.0 109.187 174.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.597 ' HD2' HG22 ' A' ' 6' ' ' ILE . 53.9 mtpt -63.77 -35.81 81.81 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.851 177.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.24 -19.76 65.92 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 124.762 1.289 . . . . 0.0 112.826 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.8 mp -77.28 4.82 9.75 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 124.262 0.976 . . . . 0.0 111.791 175.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.7 23.07 9.63 Favored Glycine 0 C--N 1.357 1.732 0 O-C-N 123.946 0.779 . . . . 0.0 112.719 176.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.613 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 6.6 m-30 -107.56 -146.33 0.4 Allowed 'General case' 0 C--N 1.357 0.923 0 O-C-N 125.191 1.171 . . . . 0.0 108.566 -173.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.512 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.4 tp10 -163.42 142.11 8.08 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.385 1.053 . . . . 0.0 108.527 -176.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -45.69 -24.69 0.39 Allowed 'General case' 0 CA--C 1.555 1.137 0 O-C-N 126.137 2.148 . . . . 0.0 114.526 -173.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -52.9 7.14 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 123.67 0.607 . . . . 0.0 110.772 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.744 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -69.13 -15.73 63.49 Favored 'General case' 0 C--N 1.357 0.931 0 O-C-N 124.686 1.241 . . . . 0.0 111.365 179.036 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.706 HG11 HG23 ' A' ' 6' ' ' ILE . 2.6 t -78.93 -58.38 4.1 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.621 0 O-C-N 126.059 2.099 . . . . 0.0 109.994 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.718 HD11 ' CD1' ' A' ' 6' ' ' ILE . 6.5 mm -57.75 -49.91 79.29 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 O-C-N 125.604 1.815 . . . . 0.0 111.122 -178.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -67.97 -29.27 68.27 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 125.4 1.688 . . . . 0.0 111.681 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -77.3 -18.91 57.13 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 124.527 1.142 . . . . 0.0 112.827 177.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.749 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.5 t80 -97.99 -27.36 14.28 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 125.352 1.657 . . . . 0.0 109.3 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.12 -39.14 14.8 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 124.209 0.943 . . . . 0.0 110.046 -175.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.04 -26.24 64.88 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 125.301 1.626 . . . . 0.0 110.592 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.614 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -83.5 4.74 26.63 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 113.757 -1.565 . . . . 0.0 113.046 175.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 57.01 61.97 2.4 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-O 122.195 0.997 . . . . 0.0 111.151 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm 29.21 60.38 0.15 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.691 2.396 . . . . 0.0 112.953 174.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -104.66 -142.71 0.37 Allowed 'General case' 0 C--N 1.356 0.848 0 CA-C-N 113.534 -1.667 . . . . 0.0 108.102 -171.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -140.5 -75.89 0.33 Allowed 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.861 0.726 . . . . 0.0 110.306 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -21.8 62.79 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 113.257 -1.792 . . . . 0.0 111.267 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.614 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -78.23 -48.35 15.98 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 125.421 1.701 . . . . 0.0 109.736 -178.732 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.797 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -60.8 -45.27 95.07 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 113.533 -1.667 . . . . 0.0 111.695 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.07 -48.23 79.08 Favored 'General case' 0 C--O 1.209 -1.035 0 O-C-N 125.231 1.582 . . . . 0.0 109.8 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -55.65 -36.91 67.56 Favored 'General case' 0 C--O 1.204 -1.311 0 C-N-CA 117.951 -1.5 . . . . 0.0 112.915 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -59.56 -54.44 46.55 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 124.399 1.062 . . . . 0.0 110.916 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -71.33 -28.98 64.47 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 113.806 -1.543 . . . . 0.0 111.731 -170.145 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.613 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -85.09 -25.91 27.26 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 113.952 -1.476 . . . . 0.0 110.202 -176.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--N 1.355 0.839 0 CA-C-N 113.416 -1.72 . . . . 0.0 111.394 177.785 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.61 -44.45 82.07 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 124.812 1.32 . . . . 0.0 112.034 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.416 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -76.27 -14.33 60.12 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 113.256 -1.793 . . . . 0.0 111.005 176.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.767 ' CD1' HD11 ' A' ' 20' ' ' ILE . 30.0 mt -75.2 -27.13 19.34 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 C-N-CA 118.205 -1.398 . . . . 0.0 111.71 -175.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -84.01 -16.15 45.04 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 124.151 0.907 . . . . 0.0 111.268 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.797 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.37 -55.16 4.15 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 124.751 1.282 . . . . 0.0 110.213 -177.585 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.738 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.9 mt -51.57 -49.97 61.03 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 126.49 2.369 . . . . 0.0 108.92 172.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -60.17 -38.27 82.67 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.842 -1.072 . . . . 0.0 113.307 174.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.71 -19.44 65.9 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 124.378 1.049 . . . . 0.0 113.011 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.1 mp -76.92 3.99 10.91 Favored 'General case' 0 CA--C 1.559 1.321 0 O-C-N 124.178 0.924 . . . . 0.0 111.993 176.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.93 24.2 9.29 Favored Glycine 0 C--N 1.359 1.834 0 O-C-N 123.852 0.72 . . . . 0.0 112.756 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.7 m-30 -106.61 -144.79 0.38 Allowed 'General case' 0 C--N 1.357 0.932 0 O-C-N 125.186 1.168 . . . . 0.0 108.768 -174.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 19' ' ' VAL . 3.6 tt0 -162.47 139.79 8.16 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -176.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -47.64 -22.84 0.56 Allowed 'General case' 0 CA--C 1.556 1.18 0 O-C-N 125.603 1.814 . . . . 0.0 113.972 -173.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.43 -52.18 7.53 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.068 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.708 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -67.42 -19.16 65.34 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 118.461 -1.296 . . . . 0.0 110.975 177.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.673 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -74.79 -59.45 3.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 C-N-CA 127.485 2.314 . . . . 0.0 110.508 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.767 HD11 ' CD1' ' A' ' 6' ' ' ILE . 6.8 mm -58.04 -47.16 87.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.35 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -71.06 -27.94 64.01 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 125.429 1.705 . . . . 0.0 111.669 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -76.68 -19.33 57.85 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 124.622 1.201 . . . . 0.0 112.575 175.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.738 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.2 t80 -97.45 -29.05 13.71 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 125.214 1.571 . . . . 0.0 108.832 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.21 -38.22 16.56 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 124.077 0.861 . . . . 0.0 110.181 -176.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.96 -26.04 64.84 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.584 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.5 m -85.99 10.55 13.8 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 113.617 -1.629 . . . . 0.0 112.835 174.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 55.36 58.02 4.96 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 122.418 1.104 . . . . 0.0 111.46 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt 31.76 60.36 0.31 Allowed 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 112.451 -2.159 . . . . 0.0 113.708 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -106.05 -147.69 0.4 Allowed 'General case' 0 C--N 1.361 1.096 0 CA-C-N 114.578 -1.192 . . . . 0.0 108.686 -172.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -134.28 -76.22 0.47 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-O 121.457 0.646 . . . . 0.0 110.671 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.46 -21.29 64.04 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 113.251 -1.795 . . . . 0.0 111.121 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.443 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.97 -46.58 20.71 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 125.253 1.595 . . . . 0.0 109.924 -177.563 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.815 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -60.99 -46.74 89.54 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.691 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.13 78.98 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.324 174.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -33.48 67.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 118.702 -1.199 . . . . 0.0 112.798 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.32 -50.91 63.84 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 124.441 1.088 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.815 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -73.28 -29.32 62.65 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 113.62 -1.627 . . . . 0.0 111.711 -171.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.591 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -85.59 -26.25 26.21 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 114.208 -1.36 . . . . 0.0 110.479 -175.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.355 0.825 0 CA-C-N 113.212 -1.813 . . . . 0.0 110.886 176.823 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.427 ' HA ' HD12 ' A' ' 6' ' ' ILE . 7.0 pttm . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -43.44 80.23 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 124.624 1.202 . . . . 0.0 111.479 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.35 -19.16 60.55 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.48 176.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.791 ' CD1' HD11 ' A' ' 20' ' ' ILE . 27.8 mt -69.96 -42.18 79.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.827 0 C-N-CA 118.257 -1.377 . . . . 0.0 111.212 -173.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.18 -17.7 63.83 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 119.353 -0.939 . . . . 0.0 112.506 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.75 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -82.17 -57.31 3.45 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.445 1.091 . . . . 0.0 110.428 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.686 HD11 ' CD1' ' A' ' 23' ' ' TYR . 12.7 mt -47.59 -50.36 24.29 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 127.666 2.386 . . . . 0.0 109.186 173.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.691 ' HD2' HG22 ' A' ' 6' ' ' ILE . 8.9 mtpm? -64.88 -36.42 84.29 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.396 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.79 -19.61 65.78 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.582 -1.19 . . . . 0.0 112.702 -177.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.75 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.9 mp -76.25 3.46 10.76 Favored 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.142 0.901 . . . . 0.0 111.674 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.06 23.58 8.5 Favored Glycine 0 C--N 1.358 1.753 0 O-C-N 123.675 0.609 . . . . 0.0 112.589 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.0 m-30 -108.01 -146.19 0.4 Allowed 'General case' 0 C--N 1.354 0.784 0 O-C-N 125.005 1.062 . . . . 0.0 108.244 -173.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.497 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.8 tp10 -160.24 141.21 12.13 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -175.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.19 -27.65 0.43 Allowed 'General case' 0 CA--C 1.554 1.119 0 O-C-N 125.239 1.587 . . . . 0.0 114.764 -176.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.54 -50.63 10.43 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.244 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.709 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -68.13 -20.52 64.91 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.485 1.116 . . . . 0.0 111.089 178.178 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.752 ' HA ' HD21 ' A' ' 37' ' ' LEU . 3.2 t -76.5 -55.77 10.11 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 126.944 2.098 . . . . 0.0 110.482 -177.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.791 HD11 ' CD1' ' A' ' 6' ' ' ILE . 8.0 mm -62.12 -43.31 97.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 CA-C-N 113.365 -1.743 . . . . 0.0 110.669 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -74.74 -25.94 59.45 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 125.822 1.951 . . . . 0.0 111.332 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -78.79 -18.07 54.71 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.712 1.258 . . . . 0.0 112.318 174.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.686 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -93.54 -40.23 10.42 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 124.901 1.375 . . . . 0.0 108.766 -179.726 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.44 -40.44 57.57 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 125.092 1.495 . . . . 0.0 110.247 -175.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.24 -26.17 64.65 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 124.697 1.248 . . . . 0.0 110.616 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.455 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -83.37 4.77 26.01 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.965 -1.47 . . . . 0.0 112.823 175.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 59.25 62.6 1.78 Allowed 'General case' 0 C--N 1.358 0.956 0 O-C-N 123.861 0.725 . . . . 0.0 110.244 -175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? 27.86 63.22 0.1 Allowed 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 113.811 -1.54 . . . . 0.0 113.77 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.424 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 7.2 t-20 -109.8 -148.17 0.42 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-N 113.194 -1.821 . . . . 0.0 107.368 -174.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -142.98 -71.01 0.32 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.631 0.651 . . . . 0.0 110.196 -176.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -22.39 66.63 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.776 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.455 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -79.52 -43.32 23.32 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 124.903 1.377 . . . . 0.0 109.468 -178.823 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.791 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -61.76 -47.29 85.85 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 113.476 -1.693 . . . . 0.0 111.689 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.67 -49.37 75.29 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 124.916 1.385 . . . . 0.0 109.672 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.23 -38.83 68.97 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 118.689 -1.204 . . . . 0.0 112.253 178.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -58.03 -56.59 20.08 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.039 0.837 . . . . 0.0 110.484 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -68.49 -29.28 67.86 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 125.319 1.637 . . . . 0.0 112.093 -170.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.583 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -86.82 -26.09 24.23 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 124.974 1.421 . . . . 0.0 109.713 -177.147 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.6 m . . . . . 0 C--N 1.358 0.939 0 CA-C-N 113.454 -1.703 . . . . 0.0 111.322 179.146 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.5 ' HA ' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -44.57 90.0 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 114.117 -1.401 . . . . 0.0 111.448 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.41 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -73.87 -15.29 61.16 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 113.426 -1.715 . . . . 0.0 110.639 177.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.5 HG12 ' HA ' ' A' ' 3' ' ' LYS . 45.2 mm -72.7 -41.89 62.28 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 C-N-CA 118.719 -1.192 . . . . 0.0 112.214 -170.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.91 -17.54 61.5 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 125.108 1.505 . . . . 0.0 111.614 175.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.742 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.32 -54.49 5.89 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 124.913 1.383 . . . . 0.0 110.274 -178.49 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.719 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.6 mt -57.02 -45.23 83.24 Favored 'General case' 0 CA--C 1.551 0.986 0 O-C-N 126.39 2.306 . . . . 0.0 108.123 176.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -37.8 86.08 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.82 174.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.53 -19.17 65.72 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.69 -174.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.2 mp -76.87 3.06 12.84 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 124.29 0.994 . . . . 0.0 111.976 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.94 23.51 8.6 Favored Glycine 0 C--N 1.359 1.817 0 O-C-N 123.882 0.739 . . . . 0.0 113.064 176.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.636 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.6 m-30 -108.23 -147.16 0.41 Allowed 'General case' 0 C--N 1.359 1.002 0 O-C-N 124.922 1.013 . . . . 0.0 109.216 -172.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -155.94 136.44 13.22 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -177.53 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -46.34 -20.61 0.12 Allowed 'General case' 0 CA--C 1.56 1.332 0 O-C-N 125.588 1.805 . . . . 0.0 114.611 -175.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -80.31 -53.95 6.17 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.769 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.725 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.64 -22.31 66.64 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.464 178.652 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.764 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -72.02 -57.71 6.71 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 C-N-CA 127.869 2.468 . . . . 0.0 110.329 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.91 -49.21 79.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 125.042 1.463 . . . . 0.0 109.859 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -70.92 -24.32 62.43 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 125.747 1.904 . . . . 0.0 112.18 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -80.73 -11.78 59.57 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 124.286 0.991 . . . . 0.0 112.802 174.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.719 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.2 t80 -107.86 -24.38 11.68 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 124.929 1.393 . . . . 0.0 109.961 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.35 -42.12 11.74 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 124.433 1.083 . . . . 0.0 109.397 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.98 -25.94 62.93 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 113.907 -1.497 . . . . 0.0 111.128 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.46 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.1 m -81.34 2.13 29.66 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 113.981 -1.463 . . . . 0.0 112.728 175.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 59.25 61.21 2.12 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-O 122.212 1.006 . . . . 0.0 110.637 -176.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.0 60.69 0.32 Allowed 'General case' 0 C--N 1.35 0.607 0 CA-C-N 113.049 -1.887 . . . . 0.0 113.756 175.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -105.53 -148.91 0.41 Allowed 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.896 -1.956 . . . . 0.0 107.631 -173.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -141.88 -72.62 0.32 Allowed 'General case' 0 C--N 1.35 0.62 0 O-C-N 123.881 0.738 . . . . 0.0 110.035 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -21.94 66.25 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 113.667 -1.606 . . . . 0.0 110.788 178.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.46 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -80.63 -43.4 20.54 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 125.067 1.479 . . . . 0.0 109.583 -178.087 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.797 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -60.0 -48.4 81.86 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 112.789 -2.005 . . . . 0.0 111.906 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.14 -48.34 80.55 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 124.89 1.369 . . . . 0.0 109.986 174.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.2 -33.48 65.36 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 118.669 -1.213 . . . . 0.0 113.196 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -62.06 -56.64 16.95 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 124.687 1.242 . . . . 0.0 109.931 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -69.33 -30.57 68.64 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 124.866 1.353 . . . . 0.0 112.765 -169.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.636 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -83.16 -25.87 31.45 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 113.811 -1.54 . . . . 0.0 110.176 -174.652 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 C--N 1.354 0.797 0 CA-C-N 113.298 -1.774 . . . . 0.0 112.208 178.935 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.08 -40.44 86.98 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.513 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.414 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -76.21 -19.15 58.65 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 112.832 -1.985 . . . . 0.0 110.718 175.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.567 HG22 ' HD2' ' A' ' 10' ' ' LYS . 26.3 mm -69.11 -45.79 79.26 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 C-N-CA 118.343 -1.343 . . . . 0.0 110.753 -174.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -68.54 -17.37 64.14 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 124.214 0.946 . . . . 0.0 113.153 175.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.72 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -82.16 -55.52 4.5 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 124.58 1.175 . . . . 0.0 109.941 -177.769 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.785 HD11 ' CD2' ' A' ' 23' ' ' TYR . 9.3 mt -51.43 -49.06 62.39 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 127.081 2.152 . . . . 0.0 109.093 174.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.568 ' HG3' HG21 ' A' ' 19' ' ' VAL . 48.8 mtpt -63.94 -35.53 80.98 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.548 177.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.82 -19.47 65.75 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 114.286 -1.325 . . . . 0.0 112.503 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.9 mp -77.4 4.88 9.87 Favored 'General case' 0 CA--C 1.56 1.353 0 O-C-N 124.089 0.868 . . . . 0.0 111.767 175.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.64 21.87 10.07 Favored Glycine 0 C--N 1.355 1.622 0 O-C-N 123.717 0.635 . . . . 0.0 112.668 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.604 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.7 m-30 -107.03 -147.37 0.41 Allowed 'General case' 0 CA--C 1.545 0.755 0 O-C-N 125.029 1.076 . . . . 0.0 108.337 -173.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 19' ' ' VAL . 20.4 tt0 -161.28 142.4 11.41 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 124.283 0.989 . . . . 0.0 108.374 -176.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -24.7 0.4 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.864 1.666 . . . . 0.0 114.683 -174.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.57 -51.81 7.86 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.867 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.806 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.82 -22.75 66.57 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 124.326 1.017 . . . . 0.0 111.225 177.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.843 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -74.68 -57.12 7.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 C-N-CA 128.413 2.685 . . . . 0.0 110.944 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 mt -55.31 -54.72 21.93 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 O-C-N 125.247 1.592 . . . . 0.0 109.697 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 39.5 tt0 -62.29 -26.84 68.63 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 125.254 1.596 . . . . 0.0 112.366 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -84.68 -9.45 58.23 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 124.199 0.937 . . . . 0.0 113.424 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.785 ' CD2' HD11 ' A' ' 9' ' ' LEU . 1.8 t80 -119.15 -3.44 10.6 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 124.591 1.182 . . . . 0.0 109.984 -178.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.2 -40.02 4.56 Favored 'General case' 0 C--N 1.346 0.425 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 21' ' ' GLN . . . -72.04 -27.56 62.79 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 124.864 1.353 . . . . 0.0 110.513 174.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.91 1.81 25.78 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 114.144 -1.389 . . . . 0.0 112.905 175.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 58.71 61.48 2.18 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.133 0.895 . . . . 0.0 111.013 -176.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? 32.64 55.19 0.39 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-N 112.656 -2.065 . . . . 0.0 112.685 170.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -100.2 -142.03 0.33 Allowed 'General case' 0 C--N 1.35 0.615 0 CA-C-N 112.644 -2.071 . . . . 0.0 107.338 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -143.6 -78.56 0.22 Allowed 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.732 0.645 . . . . 0.0 109.517 -177.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.58 -21.74 65.84 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 114.059 -1.428 . . . . 0.0 111.343 176.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.17 -42.88 22.56 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 125.079 1.487 . . . . 0.0 109.644 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.745 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -66.06 -45.53 81.01 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.032 -1.894 . . . . 0.0 111.164 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.36 -49.39 72.39 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 125.49 1.743 . . . . 0.0 109.971 172.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -34.88 60.62 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 118.866 -1.134 . . . . 0.0 113.104 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.51 -54.8 38.53 Favored 'General case' 0 CA--C 1.55 0.976 0 O-C-N 124.295 0.997 . . . . 0.0 110.869 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.843 HD21 ' HA ' ' A' ' 19' ' ' VAL . 1.7 mp -71.65 -28.96 64.11 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.679 -170.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.604 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.82 -26.89 31.28 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 125.171 1.544 . . . . 0.0 109.499 -177.182 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.354 0.802 0 CA-C-N 113.483 -1.69 . . . . 0.0 112.446 177.769 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -58.45 -56.34 23.4 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 113.942 -1.481 . . . . 0.0 111.211 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.47 -18.1 61.16 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 112.774 -2.012 . . . . 0.0 111.32 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.734 HD11 HD11 ' A' ' 20' ' ' ILE . 43.3 mt -65.42 -47.81 85.43 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 118.26 -1.376 . . . . 0.0 111.072 -174.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -68.52 -17.77 64.23 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 125.244 1.59 . . . . 0.0 112.128 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.762 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -80.58 -53.08 6.87 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 125.172 1.545 . . . . 0.0 110.265 -175.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.709 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.1 mt -55.75 -46.13 77.89 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 127.483 2.313 . . . . 0.0 108.341 174.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -35.82 82.03 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.564 -1.198 . . . . 0.0 112.777 175.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.34 -18.47 65.17 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.768 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.4 mp -77.46 4.24 11.51 Favored 'General case' 0 CA--C 1.558 1.277 0 O-C-N 124.207 0.942 . . . . 0.0 111.836 175.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.43 24.4 9.5 Favored Glycine 0 C--N 1.359 1.841 0 O-C-N 124.003 0.814 . . . . 0.0 112.972 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.619 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.0 m-30 -107.25 -145.17 0.39 Allowed 'General case' 0 C--N 1.357 0.934 0 O-C-N 125.056 1.092 . . . . 0.0 109.241 -173.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.4 tt0 -157.06 138.49 13.9 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.12 0.888 . . . . 0.0 109.09 -178.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG3' HG21 ' A' ' 6' ' ' ILE . 48.3 tt0 -45.51 -24.4 0.32 Allowed 'General case' 0 CA--C 1.558 1.284 0 O-C-N 125.842 1.964 . . . . 0.0 113.915 -175.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.1 -52.9 7.23 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.569 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.711 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.5 -22.43 66.73 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 118.955 -1.098 . . . . 0.0 110.734 177.871 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.712 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -70.05 -58.33 5.76 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 C-N-CA 127.688 2.395 . . . . 0.0 111.175 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.734 HD11 HD11 ' A' ' 6' ' ' ILE . 4.8 mm -57.01 -48.96 80.82 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 O-C-N 125.506 1.754 . . . . 0.0 110.437 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -70.3 -24.17 62.98 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 125.566 1.791 . . . . 0.0 112.258 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -82.86 -10.81 58.66 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.535 1.147 . . . . 0.0 112.95 174.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.709 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -108.49 -21.3 12.79 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 124.923 1.389 . . . . 0.0 110.135 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -92.01 -42.63 9.87 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.398 1.061 . . . . 0.0 108.989 -178.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.46 -25.89 62.49 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 114.012 -1.449 . . . . 0.0 111.227 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.7 0.51 34.13 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 114.018 -1.446 . . . . 0.0 112.829 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 57.5 67.41 0.98 Allowed 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.255 0.972 . . . . 0.0 110.919 -173.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 28.75 58.6 0.13 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 112.085 -2.325 . . . . 0.0 113.345 173.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.59 -162.14 0.82 Allowed 'General case' 0 C--N 1.35 0.601 0 CA-C-N 112.589 -2.096 . . . . 0.0 107.064 -175.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -129.81 -74.83 0.55 Allowed 'General case' 0 C--N 1.35 0.607 0 O-C-N 124.274 0.984 . . . . 0.0 109.344 -173.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -21.45 66.02 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.466 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -82.78 -41.22 19.41 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.992 1.432 . . . . 0.0 110.113 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.745 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -60.97 -49.13 78.68 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 112.59 -2.095 . . . . 0.0 111.776 177.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.05 -48.28 78.93 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 124.973 1.421 . . . . 0.0 109.942 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -56.32 -34.61 66.71 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 118.311 -1.356 . . . . 0.0 113.107 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -60.27 -54.31 47.26 Favored 'General case' 0 CA--C 1.55 0.979 0 O-C-N 124.375 1.047 . . . . 0.0 110.701 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.745 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.2 mp -72.25 -29.16 63.65 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 114.517 -1.22 . . . . 0.0 112.364 -171.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.619 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.78 -26.54 31.73 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.158 -1.383 . . . . 0.0 110.183 -176.003 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.7 t . . . . . 0 C--N 1.355 0.81 0 CA-C-N 113.16 -1.837 . . . . 0.0 111.82 179.154 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.486 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -69.42 -39.02 78.13 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.68 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.41 -15.04 59.56 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 112.111 -2.313 . . . . 0.0 110.232 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.712 HD11 HD11 ' A' ' 20' ' ' ILE . 41.2 mt -75.79 -22.59 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 118.916 -1.114 . . . . 0.0 112.145 -175.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -88.02 -16.1 34.59 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 124.059 0.85 . . . . 0.0 110.633 174.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.786 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -85.0 -54.98 4.3 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.858 1.349 . . . . 0.0 110.306 -178.512 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.736 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.0 mt -52.2 -49.75 63.28 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 126.445 2.34 . . . . 0.0 108.717 172.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -62.47 -35.65 79.99 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 119.054 -1.058 . . . . 0.0 113.103 175.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.59 -19.39 65.9 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 124.508 1.13 . . . . 0.0 112.812 -176.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.1 mp -76.91 4.12 10.58 Favored 'General case' 0 CA--C 1.56 1.342 0 O-C-N 124.196 0.935 . . . . 0.0 111.988 175.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.14 26.21 8.47 Favored Glycine 0 C--N 1.358 1.752 0 O-C-N 123.803 0.69 . . . . 0.0 112.675 176.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.601 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.2 m-30 -107.98 -145.16 0.39 Allowed 'General case' 0 C--N 1.358 0.954 0 O-C-N 125.124 1.132 . . . . 0.0 108.913 -173.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.8 tp10 -159.9 140.66 12.18 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -51.75 -19.32 1.58 Allowed 'General case' 0 CA--C 1.56 1.335 0 O-C-N 125.275 1.609 . . . . 0.0 113.696 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -52.85 7.17 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 120.329 -0.548 . . . . 0.0 111.032 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.736 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.51 -20.65 66.09 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 124.768 1.292 . . . . 0.0 110.65 179.268 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.739 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.4 t -74.54 -57.9 5.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 C-N-CA 127.56 2.344 . . . . 0.0 111.067 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.712 HD11 HD11 ' A' ' 6' ' ' ILE . 5.1 mm -56.8 -51.06 72.18 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 O-C-N 125.521 1.763 . . . . 0.0 110.314 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -68.14 -23.28 64.86 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 125.754 1.909 . . . . 0.0 112.377 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -85.23 -15.22 44.29 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.537 1.148 . . . . 0.0 113.12 176.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.736 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.5 t80 -106.27 -14.87 14.99 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 125.004 1.44 . . . . 0.0 109.413 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -98.93 -38.94 8.81 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.82 -25.74 63.9 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 125.261 1.601 . . . . 0.0 110.765 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.508 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -84.11 5.87 24.46 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.93 -1.486 . . . . 0.0 112.851 175.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 59.36 55.07 4.38 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 122.154 0.978 . . . . 0.0 111.841 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? 31.86 52.91 0.24 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-N 112.94 -1.936 . . . . 0.0 113.144 173.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.6 -100.88 0.09 Allowed 'General case' 0 C--N 1.354 0.803 0 CA-C-N 111.896 -2.411 . . . . 0.0 107.31 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 170.4 -81.32 0.0 OUTLIER 'General case' 0 C--N 1.353 0.739 0 O-C-N 124.471 1.107 . . . . 0.0 109.068 -172.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.05 -23.02 66.22 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 113.836 -1.529 . . . . 0.0 110.641 179.032 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.508 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -76.94 -44.03 33.05 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 125.187 1.554 . . . . 0.0 109.599 179.504 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.819 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -62.66 -46.04 90.05 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.16 -1.836 . . . . 0.0 111.887 -177.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.28 -48.32 68.42 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 125.221 1.576 . . . . 0.0 109.95 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -57.39 -35.41 69.98 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 118.443 -1.303 . . . . 0.0 113.087 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.0 -51.91 66.12 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 124.397 1.061 . . . . 0.0 110.409 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.819 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -72.6 -30.42 64.34 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.229 -1.35 . . . . 0.0 112.087 -169.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.601 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -84.1 -26.24 29.1 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-N 114.11 -1.405 . . . . 0.0 110.2 -175.347 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--N 1.357 0.894 0 CA-C-N 113.149 -1.842 . . . . 0.0 111.14 177.818 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.541 ' HA ' HG12 ' A' ' 6' ' ' ILE . 31.5 pttt . . . . . 0 CA--C 1.549 0.919 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -39.29 84.72 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.546 1.154 . . . . 0.0 111.202 178.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.32 -15.95 60.45 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 112.996 -1.911 . . . . 0.0 110.377 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.541 HG12 ' HA ' ' A' ' 3' ' ' LYS . 29.8 mm -75.18 -27.1 19.35 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 C-N-CA 118.662 -1.215 . . . . 0.0 111.989 -172.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -85.89 -15.91 40.24 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.173 0.921 . . . . 0.0 111.344 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.7 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -84.23 -53.77 5.27 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.709 1.256 . . . . 0.0 109.81 -176.483 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.733 HD11 ' CD1' ' A' ' 23' ' ' TYR . 11.6 mt -56.39 -48.31 77.15 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 126.508 2.38 . . . . 0.0 108.604 175.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -61.64 -35.26 77.42 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.99 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.08 -18.83 65.5 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.455 1.097 . . . . 0.0 112.838 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.0 mp -77.17 5.34 8.53 Favored 'General case' 0 CA--C 1.557 1.241 0 O-C-N 124.169 0.918 . . . . 0.0 111.654 175.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.43 31.61 7.07 Favored Glycine 0 C--N 1.358 1.779 0 O-C-N 123.939 0.775 . . . . 0.0 112.288 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.571 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.6 m-30 -112.22 -145.36 0.4 Allowed 'General case' 0 C--N 1.359 1.02 0 O-C-N 125.424 1.308 . . . . 0.0 108.956 -175.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 19' ' ' VAL . 3.6 tp10 -160.11 141.34 12.41 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 -176.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -50.55 -20.07 1.07 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 125.143 1.527 . . . . 0.0 114.225 -175.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -53.82 6.33 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.913 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.703 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.93 -20.99 66.41 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 124.596 1.185 . . . . 0.0 110.953 179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.696 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.2 t -75.8 -59.18 3.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 C-N-CA 128.141 2.576 . . . . 0.0 110.91 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.0 mm -56.12 -47.66 80.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 O-C-N 125.197 1.561 . . . . 0.0 110.142 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -72.46 -25.87 61.6 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 125.583 1.802 . . . . 0.0 112.325 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -78.87 -16.09 57.51 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.363 1.04 . . . . 0.0 112.743 174.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.733 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -101.01 -29.78 11.99 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 124.913 1.383 . . . . 0.0 108.69 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -85.16 -39.99 17.22 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 124.332 1.02 . . . . 0.0 110.148 -176.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.59 -25.76 64.13 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 114.104 -1.407 . . . . 0.0 110.741 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.499 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -83.19 4.29 27.34 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.835 -1.529 . . . . 0.0 113.059 176.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 57.19 61.65 2.48 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 122.362 1.077 . . . . 0.0 111.311 -175.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm 30.64 58.19 0.22 Allowed 'General case' 0 C--N 1.354 0.767 0 C-N-CA 127.925 2.49 . . . . 0.0 112.938 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.0 -138.72 0.35 Allowed 'General case' 0 C--N 1.356 0.885 0 CA-C-N 113.355 -1.748 . . . . 0.0 108.793 -170.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.54 -70.88 0.19 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 119.161 -1.016 . . . . 0.0 109.658 -176.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -66.72 -21.26 66.08 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 112.73 -2.032 . . . . 0.0 110.728 176.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -80.05 -44.52 19.94 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 125.051 1.469 . . . . 0.0 109.729 -179.171 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.78 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -62.05 -47.52 84.32 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.846 -179.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.76 -48.82 76.99 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 125.201 1.563 . . . . 0.0 109.706 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -58.35 -33.22 69.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 118.364 -1.334 . . . . 0.0 112.722 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -62.25 -53.57 53.28 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 124.267 0.979 . . . . 0.0 110.028 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -71.45 -28.94 64.31 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 113.449 -1.705 . . . . 0.0 111.857 -170.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.571 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -86.43 -26.1 24.89 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 125.021 1.451 . . . . 0.0 110.13 -176.285 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 C--N 1.356 0.89 0 CA-C-N 113.637 -1.619 . . . . 0.0 111.823 178.132 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.513 ' HA ' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.869 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.72 -41.87 87.21 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.861 1.35 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.38 -15.61 60.45 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 112.778 -2.01 . . . . 0.0 110.66 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.513 HG12 ' HA ' ' A' ' 3' ' ' LYS . 29.5 mm -77.11 -23.57 14.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 C-N-CA 118.629 -1.228 . . . . 0.0 112.3 -172.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 23.4 pt-20 -89.84 -15.5 32.11 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 124.377 1.048 . . . . 0.0 110.89 173.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.693 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -83.92 -53.42 5.59 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 124.71 1.256 . . . . 0.0 109.793 -176.463 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.72 HD11 ' CD1' ' A' ' 23' ' ' TYR . 11.6 mt -58.26 -47.77 82.54 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 126.529 2.393 . . . . 0.0 108.543 175.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -62.41 -33.75 75.39 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 119.343 -0.943 . . . . 0.0 112.686 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.07 -19.2 65.77 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 124.149 0.906 . . . . 0.0 112.601 -175.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.4 mp -77.7 4.37 11.72 Favored 'General case' 0 CA--C 1.561 1.384 0 O-C-N 124.144 0.902 . . . . 0.0 111.839 175.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.06 27.22 7.92 Favored Glycine 0 C--N 1.357 1.709 0 O-C-N 123.636 0.585 . . . . 0.0 112.858 175.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.578 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.7 m-30 -109.49 -145.11 0.39 Allowed 'General case' 0 CA--C 1.548 0.888 0 O-C-N 124.873 0.984 . . . . 0.0 108.77 -172.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 19' ' ' VAL . 5.7 tp10 -158.9 140.94 13.76 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -52.7 -17.86 1.53 Allowed 'General case' 0 CA--C 1.56 1.332 0 O-C-N 125.216 1.572 . . . . 0.0 113.714 -174.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.56 -53.97 6.09 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.968 177.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.704 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.45 -21.95 66.7 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 124.449 1.093 . . . . 0.0 111.162 179.697 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.736 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.2 t -74.9 -59.74 3.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 C-N-CA 127.93 2.492 . . . . 0.0 110.864 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mm -55.58 -46.34 79.12 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 O-C-N 125.136 1.522 . . . . 0.0 110.422 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -72.04 -29.21 63.94 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 125.962 2.038 . . . . 0.0 112.048 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -76.54 -16.79 59.53 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 124.12 0.888 . . . . 0.0 112.486 176.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.72 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.1 t80 -98.4 -39.76 8.62 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 124.863 1.352 . . . . 0.0 108.381 -177.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -74.11 -41.51 61.52 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 125.052 1.47 . . . . 0.0 110.799 -177.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.68 -25.09 63.72 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.607 1.192 . . . . 0.0 110.583 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.46 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -84.04 4.52 29.66 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 114.16 -1.382 . . . . 0.0 113.099 176.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 61.28 59.21 1.99 Allowed 'General case' 0 C--N 1.359 0.983 0 CA-C-O 122.148 0.975 . . . . 0.0 110.383 -176.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.99 50.97 0.37 Allowed 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 113.244 -1.798 . . . . 0.0 114.101 175.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -96.61 -144.08 0.28 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 113.207 -1.815 . . . . 0.0 108.194 -172.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -146.13 -72.85 0.23 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-O 121.495 0.664 . . . . 0.0 109.534 -177.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.78 -23.19 67.1 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.13 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.46 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -79.48 -43.34 23.38 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 124.859 1.349 . . . . 0.0 109.26 -178.312 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.797 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -62.02 -47.49 84.52 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 113.462 -1.699 . . . . 0.0 111.633 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.88 -49.61 72.9 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 124.987 1.43 . . . . 0.0 109.624 175.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -56.41 -36.74 69.28 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 118.382 -1.327 . . . . 0.0 112.94 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.94 -53.34 59.05 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 124.138 0.899 . . . . 0.0 110.592 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -70.83 -28.75 64.85 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 113.741 -1.572 . . . . 0.0 111.75 -170.517 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.578 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -87.45 -24.8 24.03 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 124.97 1.419 . . . . 0.0 109.955 -176.746 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.354 0.776 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.901 178.78 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.496 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -49.73 61.54 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 113.724 -1.58 . . . . 0.0 109.861 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.428 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -70.1 -18.72 63.26 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 113.148 -1.842 . . . . 0.0 110.913 176.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.787 HD11 HD11 ' A' ' 20' ' ' ILE . 31.9 mt -69.37 -45.56 78.58 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 C-N-CA 118.828 -1.149 . . . . 0.0 111.056 -175.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -66.99 -18.96 65.63 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 119.14 -1.024 . . . . 0.0 112.353 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.76 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -80.38 -57.59 3.53 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 124.729 1.268 . . . . 0.0 110.256 -177.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.71 HD11 ' CD1' ' A' ' 23' ' ' TYR . 8.2 mt -47.39 -50.63 22.0 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 127.262 2.225 . . . . 0.0 109.329 173.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.706 ' HD2' HG22 ' A' ' 6' ' ' ILE . 8.9 mtpm? -63.62 -36.61 84.37 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.57 177.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.74 -19.7 65.81 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.222 -1.353 . . . . 0.0 112.717 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.3 mp -77.44 4.72 10.32 Favored 'General case' 0 CA--C 1.561 1.379 0 O-C-N 124.137 0.898 . . . . 0.0 111.689 175.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.18 22.42 9.92 Favored Glycine 0 C--N 1.359 1.827 0 O-C-N 123.772 0.67 . . . . 0.0 112.749 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.558 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.1 m-30 -106.63 -145.3 0.39 Allowed 'General case' 0 C--N 1.358 0.954 0 O-C-N 124.983 1.049 . . . . 0.0 108.719 -173.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 19' ' ' VAL . 5.4 tp10 -162.47 141.06 8.89 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -175.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -46.01 -25.96 0.65 Allowed 'General case' 0 CA--C 1.556 1.193 0 O-C-N 125.3 1.625 . . . . 0.0 114.539 -175.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.15 -51.72 8.64 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.849 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.73 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -67.54 -18.01 64.87 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 118.695 -1.202 . . . . 0.0 110.878 178.794 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.793 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.5 t -78.98 -58.44 4.01 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 C-N-CA 126.824 2.05 . . . . 0.0 110.498 -177.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.787 HD11 HD11 ' A' ' 6' ' ' ILE . 7.2 mm -60.07 -48.47 87.8 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 O-C-N 125.49 1.744 . . . . 0.0 110.552 -179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -25.6 65.87 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 125.824 1.953 . . . . 0.0 111.769 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -82.58 -19.28 38.79 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.559 1.162 . . . . 0.0 112.474 176.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.71 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -96.35 -22.56 17.11 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 124.908 1.38 . . . . 0.0 109.034 -179.299 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.3 -36.24 12.06 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 123.82 0.7 . . . . 0.0 109.537 -177.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.2 -26.69 64.0 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 124.855 1.347 . . . . 0.0 110.808 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -84.45 5.31 27.85 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 124.895 1.372 . . . . 0.0 112.657 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 56.32 60.02 3.37 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.871 0.843 . . . . 0.0 111.503 -175.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? 27.49 54.79 0.07 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 127.837 2.455 . . . . 0.0 113.176 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.59 -27.21 14.12 Favored 'General case' 0 C--N 1.36 1.054 0 CA-C-N 113.49 -1.686 . . . . 0.0 111.752 -168.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 91.28 -65.52 0.01 OUTLIER 'General case' 0 C--N 1.351 0.66 0 O-C-N 125.893 1.996 . . . . 0.0 111.513 171.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.9 -23.33 66.61 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.621 -1.627 . . . . 0.0 111.114 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.97 -34.83 17.94 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.977 1.423 . . . . 0.0 109.172 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.758 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -63.28 -44.5 94.9 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 113.492 -1.685 . . . . 0.0 111.608 -177.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.43 -48.02 75.07 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 125.091 1.494 . . . . 0.0 109.658 174.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -57.28 -33.9 68.12 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.903 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -60.22 -56.15 25.09 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.572 1.17 . . . . 0.0 109.92 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.793 HD21 ' HA ' ' A' ' 19' ' ' VAL . 1.4 mp -70.27 -31.33 68.64 Favored 'General case' 0 CA--C 1.552 1.039 0 O-C-N 124.644 1.215 . . . . 0.0 112.161 -169.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.558 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.19 -24.56 34.88 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 124.995 1.434 . . . . 0.0 110.006 -176.058 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--N 1.355 0.833 0 CA-C-N 113.407 -1.724 . . . . 0.0 111.825 176.137 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.498 ' HA ' HG12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.12 -38.9 92.14 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.714 -1.584 . . . . 0.0 111.718 174.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.411 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -75.76 -15.85 60.21 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 113.717 -1.583 . . . . 0.0 110.698 176.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.498 HG12 ' HA ' ' A' ' 3' ' ' LYS . 30.8 mm -75.84 -25.32 17.17 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 C-N-CA 118.192 -1.403 . . . . 0.0 112.174 -173.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 17.8 pt-20 -88.5 -14.3 38.16 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.526 1.141 . . . . 0.0 111.153 174.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.756 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.96 -53.24 5.21 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.747 1.279 . . . . 0.0 109.947 -177.005 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.729 HD11 ' CD1' ' A' ' 23' ' ' TYR . 11.9 mt -56.28 -48.0 77.5 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 126.477 2.361 . . . . 0.0 108.568 174.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -61.42 -36.58 80.74 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.681 -1.145 . . . . 0.0 113.203 174.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.1 -18.89 65.64 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 124.393 1.058 . . . . 0.0 112.802 -175.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.9 mp -77.21 4.65 10.02 Favored 'General case' 0 CA--C 1.559 1.291 0 O-C-N 124.253 0.97 . . . . 0.0 111.967 176.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.65 26.51 8.54 Favored Glycine 0 C--N 1.358 1.792 0 O-C-N 123.844 0.715 . . . . 0.0 112.673 176.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.4 m-30 -109.54 -146.08 0.4 Allowed 'General case' 0 C--N 1.358 0.951 0 O-C-N 125.112 1.125 . . . . 0.0 108.876 -173.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.7 tp10 -159.76 140.99 12.62 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -176.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -49.49 -19.68 0.6 Allowed 'General case' 0 CA--C 1.556 1.182 0 O-C-N 125.72 1.887 . . . . 0.0 114.197 -174.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.91 -53.9 5.77 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.728 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.16 -21.27 66.75 Favored 'General case' 0 C--N 1.36 1.041 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 178.477 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.684 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -73.55 -58.68 4.4 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 C-N-CA 127.969 2.508 . . . . 0.0 111.265 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.1 mm -56.84 -49.27 79.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 125.215 1.572 . . . . 0.0 110.189 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -66.87 -28.12 68.07 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 125.941 2.025 . . . . 0.0 112.402 177.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -80.41 -12.83 59.52 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.246 0.966 . . . . 0.0 113.222 176.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.729 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.4 t80 -105.48 -25.68 12.23 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 125.027 1.455 . . . . 0.0 109.487 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.62 -42.85 12.4 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.546 1.154 . . . . 0.0 109.418 -177.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.92 -26.16 63.08 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 113.702 -1.59 . . . . 0.0 110.974 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.404 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.3 m -82.3 5.38 20.32 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 113.769 -1.56 . . . . 0.0 112.596 174.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 54.95 63.7 2.04 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.624 0.726 . . . . 0.0 111.216 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.44 63.31 0.18 Allowed 'General case' 0 C--N 1.352 0.68 0 CA-C-N 112.94 -1.936 . . . . 0.0 113.17 175.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.4 -171.32 1.86 Allowed 'General case' 0 C--N 1.349 0.566 0 CA-C-N 112.698 -2.047 . . . . 0.0 107.69 -177.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -119.67 -73.3 0.65 Allowed 'General case' 0 C--N 1.349 0.563 0 O-C-N 124.328 1.018 . . . . 0.0 110.006 -174.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -62.24 -21.51 65.22 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.657 -1.61 . . . . 0.0 111.071 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -79.93 -43.92 21.27 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 125.16 1.538 . . . . 0.0 109.584 -177.309 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.793 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -61.28 -47.44 85.98 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 113.235 -1.802 . . . . 0.0 111.921 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.84 -48.78 77.26 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 125.035 1.459 . . . . 0.0 110.081 174.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.3 -32.96 67.18 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 118.397 -1.321 . . . . 0.0 112.614 178.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -66.02 -47.79 73.26 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 124.18 0.925 . . . . 0.0 110.736 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.793 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -79.87 -20.13 46.62 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.539 -170.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.591 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -92.8 -27.53 17.12 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 125.15 1.531 . . . . 0.0 109.42 -178.575 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--N 1.357 0.918 0 CA-C-N 113.119 -1.855 . . . . 0.0 111.48 -179.468 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -44.34 93.91 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 113.249 -1.796 . . . . 0.0 111.837 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.417 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -75.98 -14.87 60.23 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 113.364 -1.744 . . . . 0.0 111.335 175.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.815 HD11 HD11 ' A' ' 20' ' ' ILE . 30.7 mt -76.59 -21.53 15.0 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 117.643 -1.623 . . . . 0.0 111.636 -174.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 15.5 pt-20 -89.36 -15.69 32.74 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.102 0.876 . . . . 0.0 110.747 174.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.756 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.65 -54.09 4.75 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.722 1.264 . . . . 0.0 109.502 -176.566 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.761 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.8 mt -54.91 -47.76 73.93 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 126.359 2.287 . . . . 0.0 108.649 173.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -64.3 -34.11 77.38 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 118.741 -1.184 . . . . 0.0 112.953 174.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -65.2 -19.19 65.86 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 124.175 0.922 . . . . 0.0 112.771 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.1 mp -77.22 4.95 9.33 Favored 'General case' 0 CA--C 1.558 1.28 0 O-C-N 124.216 0.948 . . . . 0.0 112.08 176.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.41 27.15 9.41 Favored Glycine 0 C--N 1.356 1.662 0 O-C-N 123.71 0.631 . . . . 0.0 112.385 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.7 m-30 -108.12 -144.09 0.38 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -173.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 19' ' ' VAL . 21.3 tt0 -161.5 140.49 9.89 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -176.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -50.49 -20.12 1.06 Allowed 'General case' 0 CA--C 1.552 1.049 0 O-C-N 125.804 1.94 . . . . 0.0 113.806 -172.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -80.83 -56.21 4.28 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.592 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.806 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -62.59 -20.31 64.59 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 118.576 -1.25 . . . . 0.0 111.813 178.796 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.667 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -73.61 -61.39 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.5 0 O-C-N 126.158 2.161 . . . . 0.0 110.932 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.815 HD11 HD11 ' A' ' 6' ' ' ILE . 6.3 mm -56.32 -49.52 76.27 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 O-C-N 125.292 1.62 . . . . 0.0 110.108 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -65.75 -26.45 67.73 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 126.058 2.099 . . . . 0.0 112.061 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -84.37 -11.66 55.9 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.108 0.88 . . . . 0.0 113.17 175.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.761 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -106.4 -16.6 14.51 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 124.583 1.177 . . . . 0.0 109.336 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.55 -41.06 7.12 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 124.282 0.989 . . . . 0.0 109.105 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.33 -25.62 62.48 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.712 1.257 . . . . 0.0 110.942 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -84.03 4.75 28.6 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 114.058 -1.428 . . . . 0.0 112.506 174.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 55.78 60.53 3.23 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 124.239 0.962 . . . . 0.0 110.722 -176.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.47 53.19 0.05 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.561 1.544 . . . . 0.0 113.886 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.81 -25.56 16.58 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.485 -1.688 . . . . 0.0 111.411 -171.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 87.91 -67.75 0.02 OUTLIER 'General case' 0 C--N 1.354 0.789 0 O-C-N 126.086 2.116 . . . . 0.0 110.728 173.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -22.8 66.9 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 113.742 -1.572 . . . . 0.0 111.106 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.77 -31.23 18.48 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 125.04 1.462 . . . . 0.0 109.296 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.837 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -64.71 -44.12 91.26 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 113.623 -1.626 . . . . 0.0 111.88 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.25 76.86 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 125.01 1.444 . . . . 0.0 109.531 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -56.2 -37.18 69.28 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 118.762 -1.175 . . . . 0.0 112.67 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -60.61 -50.08 74.94 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 121.707 0.765 . . . . 0.0 111.144 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -73.4 -29.38 62.56 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.76 -1.564 . . . . 0.0 111.713 -170.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.612 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -88.49 -23.85 23.12 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 125.142 1.526 . . . . 0.0 109.799 -175.594 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.354 0.774 0 CA-C-N 113.453 -1.703 . . . . 0.0 111.171 178.073 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.494 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.3 -42.17 75.8 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 124.753 1.283 . . . . 0.0 111.915 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.424 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -76.28 -16.49 59.78 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 112.981 -1.918 . . . . 0.0 110.187 176.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.765 ' CD1' HD11 ' A' ' 20' ' ' ILE . 34.1 mt -71.8 -43.46 69.41 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.786 -173.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -69.25 -17.15 63.73 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.947 0.78 . . . . 0.0 112.537 176.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.74 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.86 -56.79 3.75 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.583 1.177 . . . . 0.0 110.165 179.434 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.73 HD11 ' CD1' ' A' ' 23' ' ' TYR . 8.9 mt -49.48 -50.38 41.63 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 126.931 2.092 . . . . 0.0 109.393 174.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.681 ' HD2' HG22 ' A' ' 6' ' ' ILE . 53.9 mtpt -63.88 -35.82 81.92 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.599 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.54 -19.62 65.82 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.69 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.0 mp -77.4 4.87 9.89 Favored 'General case' 0 CA--C 1.56 1.337 0 O-C-N 124.081 0.863 . . . . 0.0 111.803 175.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.68 23.27 9.51 Favored Glycine 0 C--N 1.358 1.765 0 O-C-N 123.807 0.692 . . . . 0.0 112.706 176.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.618 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.5 m-30 -107.11 -146.02 0.39 Allowed 'General case' 0 C--N 1.357 0.914 0 O-C-N 125.118 1.128 . . . . 0.0 108.608 -173.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.6 tp10 -161.23 140.55 10.3 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -176.091 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -44.16 -26.51 0.31 Allowed 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.239 1.816 . . . . 0.0 114.782 -176.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.48 -50.7 8.56 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.732 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.729 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -67.08 -19.24 65.62 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 118.787 -1.165 . . . . 0.0 110.626 177.443 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.829 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -77.67 -58.35 4.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 C-N-CA 126.979 2.112 . . . . 0.0 110.547 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.765 HD11 ' CD1' ' A' ' 6' ' ' ILE . 6.9 mm -59.39 -46.82 92.32 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.534 0 O-C-N 125.567 1.792 . . . . 0.0 110.841 -178.179 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -68.7 -30.06 68.63 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 125.652 1.845 . . . . 0.0 111.577 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -77.83 -17.85 56.96 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 124.482 1.114 . . . . 0.0 112.608 176.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.73 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -96.82 -28.41 14.26 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 125.219 1.575 . . . . 0.0 108.72 -178.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.93 -38.72 15.34 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 124.036 0.835 . . . . 0.0 110.143 -175.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.47 -26.4 64.55 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 113.655 -1.612 . . . . 0.0 110.57 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -83.47 4.12 29.19 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 114.085 -1.416 . . . . 0.0 113.035 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 60.39 59.47 2.26 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 122.534 1.159 . . . . 0.0 110.827 -175.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt 32.7 56.1 0.41 Allowed 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 112.604 -2.089 . . . . 0.0 113.393 174.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.28 -156.09 0.55 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 113.79 -1.55 . . . . 0.0 107.931 -172.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -128.33 -79.45 0.57 Allowed 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.538 0.524 . . . . 0.0 109.968 -176.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -62.96 -20.32 65.13 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 113.96 -1.473 . . . . 0.0 111.223 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 32' ' ' LEU . 6.2 tp -79.44 -45.49 19.32 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 125.282 1.613 . . . . 0.0 110.092 -177.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.738 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -59.21 -50.96 72.04 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 112.601 -2.091 . . . . 0.0 111.383 176.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.8 -49.69 67.77 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 125.203 1.564 . . . . 0.0 110.169 175.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -54.85 -34.23 62.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 119.188 -1.005 . . . . 0.0 113.307 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -58.89 -57.99 10.62 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 124.698 1.249 . . . . 0.0 109.821 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.829 HD21 ' HA ' ' A' ' 19' ' ' VAL . 2.0 mp -69.16 -31.36 69.95 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.895 1.372 . . . . 0.0 112.437 -169.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.618 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -79.09 -25.63 43.02 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 113.975 -1.466 . . . . 0.0 110.198 -175.215 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.4 t . . . . . 0 C--N 1.352 0.693 0 CA-C-N 112.959 -1.928 . . . . 0.0 112.366 177.165 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -51.61 67.56 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 125.08 1.488 . . . . 0.0 112.209 176.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.43 -19.37 60.98 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.194 -1.821 . . . . 0.0 110.326 175.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.583 ' CD1' HD11 ' A' ' 20' ' ' ILE . 18.8 mt -67.84 -41.85 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 118.777 -1.169 . . . . 0.0 112.137 -175.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -71.34 -17.75 62.42 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.999 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.758 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.45 -55.84 4.43 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 124.82 1.325 . . . . 0.0 110.124 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.751 HD11 ' CD1' ' A' ' 23' ' ' TYR . 12.0 mt -48.23 -50.23 30.23 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.407 2.283 . . . . 0.0 108.985 174.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.494 ' HG3' HG21 ' A' ' 19' ' ' VAL . 31.7 mtpt -65.9 -35.79 81.6 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.763 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.5 -19.32 65.76 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 114.501 -1.227 . . . . 0.0 112.878 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.8 mp -75.92 3.3 10.44 Favored 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.144 0.902 . . . . 0.0 111.771 175.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.97 24.18 8.73 Favored Glycine 0 C--N 1.36 1.863 0 O-C-N 123.82 0.7 . . . . 0.0 112.565 176.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.555 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.5 m-30 -109.21 -145.91 0.4 Allowed 'General case' 0 C--N 1.357 0.919 0 O-C-N 125.244 1.203 . . . . 0.0 108.408 -173.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 19' ' ' VAL . 38.6 tt0 -163.46 140.8 7.42 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 124.255 0.972 . . . . 0.0 108.579 -174.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -39.4 -30.03 0.06 Allowed 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 127.73 2.412 . . . . 0.0 114.853 -176.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -51.58 8.43 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.236 -178.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.784 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.33 -22.3 66.27 Favored 'General case' 0 C--N 1.358 0.96 0 O-C-N 124.488 1.118 . . . . 0.0 110.719 178.346 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.71 ' HA ' HD21 ' A' ' 37' ' ' LEU . 4.0 t -73.93 -56.55 8.93 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 C-N-CA 127.34 2.256 . . . . 0.0 111.062 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.583 HD11 ' CD1' ' A' ' 6' ' ' ILE . 5.2 mm -59.67 -46.74 93.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 125.578 1.798 . . . . 0.0 110.647 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -70.12 -29.2 66.08 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 125.755 1.91 . . . . 0.0 111.096 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -78.85 -13.15 59.96 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.279 0.987 . . . . 0.0 113.264 175.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.751 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.6 t80 -102.13 -28.87 12.07 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 124.864 1.353 . . . . 0.0 108.92 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.43 -40.29 14.5 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 124.16 0.913 . . . . 0.0 109.937 -174.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.5 -26.35 63.56 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 113.68 -1.6 . . . . 0.0 110.78 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 36' ' ' PHE . 1.3 m -81.87 4.21 23.23 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.773 -1.558 . . . . 0.0 112.915 174.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 58.29 60.93 2.45 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 122.388 1.09 . . . . 0.0 111.087 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm 30.37 57.21 0.2 Allowed 'General case' 0 C--N 1.354 0.784 0 C-N-CA 128.174 2.59 . . . . 0.0 113.028 174.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -104.95 -149.15 0.41 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.466 -1.697 . . . . 0.0 107.979 -171.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -135.46 -77.14 0.44 Allowed 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.384 0.612 . . . . 0.0 109.991 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -21.3 65.12 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.544 -1.662 . . . . 0.0 111.335 177.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -80.26 -43.63 21.03 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 125.047 1.467 . . . . 0.0 110.22 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.726 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -61.28 -48.01 83.37 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 112.662 -2.063 . . . . 0.0 111.753 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.38 -47.58 81.3 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 125.324 1.64 . . . . 0.0 109.617 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -57.72 -33.75 68.75 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 118.754 -1.178 . . . . 0.0 112.609 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.45 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 8.0 t80 -60.31 -56.27 23.47 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.398 1.061 . . . . 0.0 109.917 176.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.784 HD23 HD12 ' A' ' 18' ' ' LEU . 1.1 mp -69.0 -29.54 67.76 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.917 1.385 . . . . 0.0 112.587 -170.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.579 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -86.69 -25.26 24.88 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.657 -175.403 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.358 0.965 0 CA-C-N 112.952 -1.931 . . . . 0.0 112.132 179.844 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HA ' HG12 ' A' ' 6' ' ' ILE . 10.2 ptmm? . . . . . 0 CA--C 1.544 0.731 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -35.78 78.42 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 113.996 -1.456 . . . . 0.0 111.377 177.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.415 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -75.31 -15.74 60.47 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 112.942 -1.935 . . . . 0.0 110.845 175.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' A' ' 3' ' ' LYS . 23.5 mm -72.92 -27.93 25.81 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 C-N-CA 118.545 -1.262 . . . . 0.0 112.01 -176.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.98 -14.97 45.84 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.932 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.782 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -86.3 -54.69 4.29 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 125.016 1.447 . . . . 0.0 110.121 -177.653 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.754 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.7 mt -52.76 -50.17 64.05 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 126.134 2.146 . . . . 0.0 109.324 174.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.1 mtmt -63.5 -34.18 77.22 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 176.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.16 -19.68 65.91 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 124.688 1.243 . . . . 0.0 112.719 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.8 mp -77.23 4.96 9.34 Favored 'General case' 0 CA--C 1.557 1.25 0 O-C-N 124.161 0.913 . . . . 0.0 111.97 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.95 13.94 24.11 Favored Glycine 0 C--N 1.359 1.844 0 O-C-N 124.039 0.837 . . . . 0.0 112.836 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 6.0 m-30 -99.46 -147.48 0.34 Allowed 'General case' 0 C--N 1.353 0.723 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -171.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 19' ' ' VAL . 9.1 tp10 -160.01 140.32 11.77 Favored 'General case' 0 C--N 1.347 0.473 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -176.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -43.38 -25.37 0.14 Allowed 'General case' 0 CA--C 1.555 1.147 0 O-C-N 125.962 2.039 . . . . 0.0 114.492 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.84 -53.15 6.73 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.04 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.725 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -67.22 -19.16 65.5 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 124.564 1.165 . . . . 0.0 111.492 178.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.719 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -77.6 -56.86 6.71 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 C-N-CA 128.277 2.631 . . . . 0.0 110.613 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.3 mm -58.01 -51.85 65.64 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 O-C-N 125.071 1.482 . . . . 0.0 109.806 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.24 -25.55 66.95 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 125.852 1.97 . . . . 0.0 112.415 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -80.93 -17.16 51.46 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 176.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.754 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -101.69 -22.27 14.47 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 124.929 1.393 . . . . 0.0 109.421 -178.5 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -93.24 -38.25 11.63 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 123.87 0.731 . . . . 0.0 109.899 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.49 -26.48 63.63 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 124.913 1.383 . . . . 0.0 111.031 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -82.97 4.3 26.46 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.435 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 56.77 59.0 3.73 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 122.015 0.912 . . . . 0.0 111.696 -175.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HZ3' ' HG3' ' A' ' 28' ' ' LYS . 1.3 mmmm 30.86 51.21 0.11 Allowed 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 112.593 -2.094 . . . . 0.0 113.445 173.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.59 -26.69 15.67 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 113.302 -1.772 . . . . 0.0 111.334 -169.072 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 89.83 -67.7 0.01 OUTLIER 'General case' 0 C--N 1.353 0.735 0 O-C-N 125.569 1.793 . . . . 0.0 111.696 173.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -22.93 67.09 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.035 -1.893 . . . . 0.0 110.987 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -33.57 18.43 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 125.03 1.456 . . . . 0.0 109.434 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.848 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -64.43 -43.59 93.85 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 113.602 -1.635 . . . . 0.0 111.627 -178.069 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.93 -47.29 80.98 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 113.965 -1.47 . . . . 0.0 109.83 173.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -56.99 -35.23 68.95 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 118.637 -1.225 . . . . 0.0 112.834 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -62.0 -51.83 66.47 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 124.044 0.84 . . . . 0.0 110.871 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.848 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -72.66 -29.07 63.12 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 113.496 -1.684 . . . . 0.0 111.937 -170.411 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -87.88 -25.54 23.21 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.112 -1.404 . . . . 0.0 110.496 -175.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 C--N 1.355 0.83 0 CA-C-N 113.076 -1.874 . . . . 0.0 111.164 177.135 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.543 0.699 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -45.58 78.16 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 113.796 -1.547 . . . . 0.0 111.034 -178.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.16 -20.03 57.93 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 112.458 -2.156 . . . . 0.0 110.331 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.711 HG23 HG11 ' A' ' 19' ' ' VAL . 34.8 mt -67.8 -41.93 85.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 118.415 -1.314 . . . . 0.0 111.087 -174.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.96 -17.67 62.65 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 119.865 -0.734 . . . . 0.0 112.868 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.734 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.96 -55.66 4.45 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.606 1.191 . . . . 0.0 110.053 -178.885 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.762 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.1 mt -50.0 -49.66 49.91 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.376 2.27 . . . . 0.0 109.107 174.36 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.571 ' HG3' HG21 ' A' ' 19' ' ' VAL . 53.0 mtpt -64.42 -35.2 80.14 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.742 177.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.77 -19.23 65.71 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.809 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.1 mp -77.89 5.11 10.33 Favored 'General case' 0 CA--C 1.562 1.408 0 O-C-N 124.143 0.902 . . . . 0.0 111.83 175.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.17 24.99 8.57 Favored Glycine 0 C--N 1.359 1.858 0 O-C-N 123.646 0.591 . . . . 0.0 112.868 175.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.558 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.0 m-30 -109.46 -145.98 0.4 Allowed 'General case' 0 C--N 1.357 0.904 0 O-C-N 125.019 1.07 . . . . 0.0 108.584 -173.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 19' ' ' VAL . 5.8 tt0 -162.61 141.21 8.76 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 124.209 0.943 . . . . 0.0 108.872 -175.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -45.49 -25.78 0.48 Allowed 'General case' 0 CA--C 1.555 1.152 0 O-C-N 125.687 1.867 . . . . 0.0 114.619 -172.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -78.68 -53.52 7.06 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.917 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.735 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.84 -21.89 66.01 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 124.413 1.071 . . . . 0.0 111.443 -179.597 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.813 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -72.12 -57.92 6.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 C-N-CA 127.828 2.451 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.1 mt -56.61 -51.68 62.93 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 O-C-N 125.381 1.676 . . . . 0.0 110.288 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -65.4 -25.76 67.69 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 125.529 1.768 . . . . 0.0 112.312 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -81.47 -15.5 54.83 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 124.418 1.074 . . . . 0.0 112.517 177.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.762 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.5 t80 -103.21 -29.01 11.56 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 125.001 1.438 . . . . 0.0 109.5 -178.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.91 -42.57 12.41 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 124.799 1.312 . . . . 0.0 109.526 -172.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.88 -25.85 62.98 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 113.392 -1.731 . . . . 0.0 110.535 175.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.427 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -78.15 -0.93 30.22 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 113.569 -1.651 . . . . 0.0 113.26 174.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 63.12 61.06 1.12 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-O 122.051 0.929 . . . . 0.0 110.817 -176.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.04 42.67 0.71 Allowed 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 112.903 -1.953 . . . . 0.0 113.504 174.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.437 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 1.4 t-20 -92.35 -151.99 0.3 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 113.107 -1.86 . . . . 0.0 107.818 -172.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -142.86 -70.78 0.32 Allowed 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 118.888 0.767 . . . . 0.0 109.254 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -23.67 67.51 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 113.088 -1.869 . . . . 0.0 110.927 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.4 -43.26 33.25 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 125.154 1.533 . . . . 0.0 108.942 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.76 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -63.43 -45.35 91.32 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 113.025 -1.898 . . . . 0.0 111.656 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.42 72.48 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 125.496 1.747 . . . . 0.0 109.474 172.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -35.61 65.77 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 118.869 -1.133 . . . . 0.0 112.518 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.91 -53.83 48.05 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 123.995 0.809 . . . . 0.0 109.958 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.813 HD21 ' HA ' ' A' ' 19' ' ' VAL . 1.2 mp -75.6 -14.24 60.37 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 114.031 -1.44 . . . . 0.0 112.563 -171.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.558 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -95.13 -25.79 16.28 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 124.186 0.929 . . . . 0.0 108.572 178.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.358 0.946 0 CA-C-N 112.772 -2.013 . . . . 0.0 111.96 178.946 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.88 -49.83 73.27 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 124.866 1.354 . . . . 0.0 111.824 175.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.421 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -71.63 -17.97 62.23 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.566 177.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.559 HG23 HG11 ' A' ' 19' ' ' VAL . 34.7 mt -65.47 -45.56 92.5 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 C-N-CA 119.511 -0.875 . . . . 0.0 111.71 -175.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.7 -18.64 63.55 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 124.807 1.317 . . . . 0.0 111.903 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.797 ' O ' HD12 ' A' ' 12' ' ' LEU . 1.1 ttm180 -79.98 -53.34 6.82 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 125.103 1.502 . . . . 0.0 110.226 -177.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.7 mt -52.6 -45.19 66.44 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 126.465 2.353 . . . . 0.0 108.411 173.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -34.97 78.12 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.802 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.29 -18.04 65.03 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 124.881 1.363 . . . . 0.0 112.78 -178.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.3 mp -77.06 4.07 10.99 Favored 'General case' 0 CA--C 1.559 1.314 0 O-C-N 124.262 0.976 . . . . 0.0 111.879 175.088 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.38 25.14 8.96 Favored Glycine 0 C--N 1.358 1.803 0 O-C-N 124.03 0.831 . . . . 0.0 112.946 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.601 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.4 m-30 -108.58 -143.14 0.38 Allowed 'General case' 0 C--N 1.358 0.978 0 O-C-N 125.067 1.098 . . . . 0.0 109.291 -172.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.4 tt0 -158.32 136.61 10.86 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 124.18 0.925 . . . . 0.0 108.658 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -43.78 -25.25 0.17 Allowed 'General case' 0 CA--C 1.557 1.225 0 O-C-N 125.704 1.877 . . . . 0.0 114.034 -176.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.0 m -79.13 -52.77 7.74 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.796 0.685 . . . . 0.0 111.664 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.722 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.57 -20.11 65.94 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 118.775 -1.17 . . . . 0.0 110.886 176.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.76 ' HA ' HD21 ' A' ' 37' ' ' LEU . 4.4 t -73.51 -54.49 15.26 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 C-N-CA 126.785 2.034 . . . . 0.0 110.481 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.5 mt -60.42 -54.2 38.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 O-C-N 125.619 1.825 . . . . 0.0 109.679 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -17.87 61.76 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 125.23 1.581 . . . . 0.0 112.836 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -91.5 -15.65 28.44 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 124.426 1.079 . . . . 0.0 113.126 176.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.808 ' CD1' HD11 ' A' ' 9' ' ' LEU . 2.1 t80 -111.09 -6.54 14.6 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 125.268 1.605 . . . . 0.0 110.404 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.24 -41.56 5.3 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.52 -27.36 63.14 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 113.077 -1.874 . . . . 0.0 110.867 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.47 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.4 m -82.6 4.36 25.03 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.532 -1.667 . . . . 0.0 112.428 174.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 56.53 60.9 2.88 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 121.482 0.658 . . . . 0.0 111.418 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.36 57.88 0.66 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 113.321 -1.763 . . . . 0.0 113.045 173.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.46 -160.26 0.77 Allowed 'General case' 0 C--N 1.352 0.693 0 CA-C-N 113.039 -1.891 . . . . 0.0 107.978 -176.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -125.37 -76.36 0.59 Allowed 'General case' 0 C--O 1.219 -0.522 0 O-C-N 123.83 0.706 . . . . 0.0 110.225 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.77 -22.22 63.85 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 113.109 -1.859 . . . . 0.0 111.152 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.47 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.54 -45.86 24.13 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 125.363 1.664 . . . . 0.0 109.618 -177.625 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.803 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -65.65 -44.56 85.96 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 113.351 -1.749 . . . . 0.0 111.499 -176.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.13 78.01 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 125.317 1.636 . . . . 0.0 110.025 173.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.99 -33.78 69.28 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 117.967 -1.493 . . . . 0.0 112.721 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.08 -51.62 65.91 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.803 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -73.16 -29.63 63.0 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 113.661 -1.609 . . . . 0.0 112.049 -170.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.601 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -85.22 -25.65 27.2 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.055 -175.768 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.356 0.857 0 CA-C-N 113.249 -1.796 . . . . 0.0 111.63 179.064 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 6' ' ' ILE . 6.1 mttm . . . . . 0 CA--C 1.543 0.702 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.2 -42.09 89.3 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 113.299 -1.773 . . . . 0.0 111.419 177.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.405 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -74.25 -17.96 60.8 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 113.324 -1.762 . . . . 0.0 110.656 175.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.829 HD11 HD11 ' A' ' 20' ' ' ILE . 71.7 mt -67.18 -48.74 77.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 C-N-CA 118.081 -1.448 . . . . 0.0 111.456 -172.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.63 -15.47 63.2 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 125.164 1.54 . . . . 0.0 112.056 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.752 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.57 -54.08 6.24 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.797 1.31 . . . . 0.0 110.599 178.671 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.696 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.3 mt -55.94 -44.8 78.73 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 126.272 2.232 . . . . 0.0 108.385 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -34.73 78.97 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.579 -1.191 . . . . 0.0 112.618 176.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.2 -18.57 65.31 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 114.563 -1.199 . . . . 0.0 112.72 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.8 mp -78.27 4.85 11.71 Favored 'General case' 0 CA--C 1.559 1.299 0 O-C-N 124.15 0.906 . . . . 0.0 111.771 175.317 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.19 24.24 9.81 Favored Glycine 0 C--N 1.36 1.881 0 O-C-N 123.782 0.677 . . . . 0.0 113.218 176.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.599 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.6 m-30 -106.09 -142.79 0.37 Allowed 'General case' 0 C--N 1.359 1.017 0 O-C-N 124.786 0.933 . . . . 0.0 109.424 -172.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 19' ' ' VAL . 6.9 tp10 -157.18 136.89 12.3 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -47.18 -21.82 0.3 Allowed 'General case' 0 CA--C 1.557 1.23 0 O-C-N 125.376 1.672 . . . . 0.0 114.384 -176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -52.02 7.94 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 123.48 0.488 . . . . 0.0 111.363 177.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.707 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -67.59 -19.68 65.27 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 124.283 0.989 . . . . 0.0 111.335 177.777 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.719 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.4 t -72.55 -58.34 5.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 O-C-N 125.916 2.01 . . . . 0.0 110.057 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.829 HD11 HD11 ' A' ' 6' ' ' ILE . 5.1 mm -57.6 -50.02 78.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 O-C-N 125.127 1.517 . . . . 0.0 111.485 -178.025 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -67.26 -28.46 68.05 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 125.513 1.758 . . . . 0.0 111.928 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -79.52 -16.45 55.98 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.406 1.066 . . . . 0.0 112.653 175.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.696 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -98.99 -26.33 14.28 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 125.077 1.486 . . . . 0.0 109.376 -178.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.41 -38.94 12.96 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 124.124 0.89 . . . . 0.0 109.976 -175.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.52 64.53 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.741 176.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.547 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.2 m -83.15 4.65 25.68 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 113.965 -1.471 . . . . 0.0 112.995 175.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 57.36 59.24 3.42 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 122.375 1.083 . . . . 0.0 111.425 -175.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm 34.18 56.2 0.63 Allowed 'General case' 0 C--N 1.35 0.615 0 CA-C-N 112.124 -2.307 . . . . 0.0 112.676 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -103.03 -144.58 0.36 Allowed 'General case' 0 C--N 1.356 0.851 0 CA-C-N 112.841 -1.981 . . . . 0.0 107.527 -173.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -143.05 -74.73 0.27 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-O 121.436 0.636 . . . . 0.0 109.433 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -22.63 66.21 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.589 -1.642 . . . . 0.0 111.165 177.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -78.4 -46.31 20.2 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 125.072 1.482 . . . . 0.0 109.55 -178.259 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.794 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -59.76 -47.93 83.7 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.962 -1.926 . . . . 0.0 111.854 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.82 -47.91 79.21 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 124.953 1.408 . . . . 0.0 109.752 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.59 -36.79 69.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 117.747 -1.581 . . . . 0.0 112.896 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -60.12 -54.46 45.64 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 123.829 0.705 . . . . 0.0 110.47 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -70.8 -26.86 63.51 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 118.677 -1.209 . . . . 0.0 112.225 -169.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.599 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -87.37 -25.83 23.65 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.443 -176.2 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.358 0.946 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.101 179.784 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' A' ' 6' ' ' ILE . 8.8 pttt . . . . . 0 CA--C 1.544 0.72 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -39.75 74.4 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.786 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.97 -16.83 59.22 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.013 -1.903 . . . . 0.0 110.377 173.709 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.808 HD11 HD11 ' A' ' 20' ' ' ILE . 37.1 mt -75.3 -24.53 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 118.838 -1.145 . . . . 0.0 112.025 -172.535 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -88.66 -15.7 34.24 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.22 0.95 . . . . 0.0 110.505 175.584 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.733 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -84.39 -54.87 4.47 Favored 'General case' 0 C--N 1.356 0.861 0 O-C-N 124.626 1.204 . . . . 0.0 110.378 -179.868 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.728 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.6 mt -53.44 -49.19 67.88 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 126.348 2.28 . . . . 0.0 108.835 173.737 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -62.49 -34.85 77.67 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 119.01 -1.076 . . . . 0.0 113.15 174.395 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.9 -18.98 65.71 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 124.271 0.982 . . . . 0.0 112.877 -175.532 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.733 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.3 mp -77.61 4.4 11.44 Favored 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.162 0.914 . . . . 0.0 111.932 175.838 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.94 27.05 8.06 Favored Glycine 0 C--N 1.359 1.817 0 O-C-N 123.683 0.614 . . . . 0.0 112.8 175.707 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.605 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.2 m-30 -108.42 -145.78 0.4 Allowed 'General case' 0 C--N 1.358 0.938 0 O-C-N 125.095 1.115 . . . . 0.0 108.839 -173.338 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.524 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -158.51 140.89 14.22 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -176.419 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -51.76 -19.06 1.46 Allowed 'General case' 0 CA--C 1.56 1.347 0 O-C-N 125.187 1.554 . . . . 0.0 113.905 -174.183 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -82.11 -52.54 6.9 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 123.405 0.441 . . . . 0.0 110.91 177.408 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.712 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.05 -21.05 66.36 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 118.959 -1.097 . . . . 0.0 110.815 178.098 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.718 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.4 t -74.07 -59.41 3.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 C-N-CA 127.068 2.147 . . . . 0.0 110.717 -179.385 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.808 HD11 HD11 ' A' ' 6' ' ' ILE . 5.4 mm -56.98 -50.54 75.84 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 125.278 1.611 . . . . 0.0 111.082 -178.053 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -67.42 -25.86 66.13 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 125.88 1.987 . . . . 0.0 112.264 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -80.75 -15.96 55.11 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 124.39 1.056 . . . . 0.0 112.556 175.106 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.728 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.5 t80 -104.04 -21.67 13.56 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 125.055 1.472 . . . . 0.0 109.681 -177.474 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.76 -41.35 11.3 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 124.407 1.067 . . . . 0.0 108.817 -177.68 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.13 -25.9 62.78 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-N 113.904 -1.498 . . . . 0.0 111.339 178.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.61 3.51 28.49 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.947 1.404 . . . . 0.0 112.79 175.692 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 58.97 60.75 2.34 Favored 'General case' 0 C--N 1.359 0.987 0 CA-C-O 121.939 0.876 . . . . 0.0 110.961 -175.763 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.93 54.3 0.55 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 113.458 -1.701 . . . . 0.0 114.071 175.704 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -100.65 -145.95 0.34 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.345 -1.752 . . . . 0.0 107.543 -174.079 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -145.79 -71.48 0.25 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-O 121.459 0.647 . . . . 0.0 109.647 -175.447 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -23.31 67.38 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 113.7 -1.591 . . . . 0.0 111.093 177.046 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -43.84 19.28 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.849 1.343 . . . . 0.0 109.057 -177.582 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.756 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -58.5 -49.22 78.17 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 112.821 -1.99 . . . . 0.0 111.878 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.65 -49.62 74.5 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 125.008 1.443 . . . . 0.0 109.955 174.553 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.97 -32.87 64.27 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 119.022 -1.071 . . . . 0.0 113.406 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -63.52 -55.4 24.26 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 124.262 0.976 . . . . 0.0 110.009 178.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -70.66 -29.95 66.43 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 113.765 -1.561 . . . . 0.0 112.03 -169.844 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.605 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.83 -27.04 31.12 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 125.133 1.52 . . . . 0.0 110.033 -175.673 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.356 0.868 0 CA-C-N 113.478 -1.692 . . . . 0.0 111.252 177.322 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 CA--C 1.546 0.819 0 CA-C-O 120.972 0.415 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.27 1.89 10.8 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 125.044 1.465 . . . . 0.0 112.064 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.452 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -51.74 -21.32 2.66 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 -178.268 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.86 -47.79 73.74 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 114.094 -1.412 . . . . 0.0 111.494 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.61 -17.07 61.72 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 112.617 -2.083 . . . . 0.0 110.89 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.764 HG23 HG11 ' A' ' 19' ' ' VAL . 59.9 mt -64.55 -47.24 89.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 C-N-CA 118.197 -1.401 . . . . 0.0 111.481 -175.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.6 -18.56 65.02 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 125.077 1.486 . . . . 0.0 112.506 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.776 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -79.64 -53.43 6.85 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.103 -175.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.789 HD11 ' CD1' ' A' ' 23' ' ' TYR . 8.4 mt -53.8 -44.38 70.1 Favored 'General case' 0 CA--C 1.554 1.102 0 O-C-N 126.385 2.303 . . . . 0.0 109.035 173.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -34.59 77.63 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 114.226 -1.352 . . . . 0.0 112.293 176.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.84 -18.03 64.69 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.842 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.8 mp -77.12 4.2 10.84 Favored 'General case' 0 CA--C 1.559 1.306 0 O-C-N 124.151 0.907 . . . . 0.0 111.87 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.97 25.15 9.22 Favored Glycine 0 C--N 1.357 1.739 0 O-C-N 123.865 0.728 . . . . 0.0 112.903 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.552 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 11.7 m-30 -109.15 -140.68 0.38 Allowed 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.735 0.903 . . . . 0.0 108.969 -171.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 19' ' ' VAL . 24.3 tt0 -161.49 135.99 7.09 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 124.204 0.94 . . . . 0.0 108.753 -176.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -48.1 -19.3 0.26 Allowed 'General case' 0 CA--C 1.56 1.344 0 O-C-N 125.701 1.876 . . . . 0.0 113.934 -174.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -80.96 -54.52 5.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.769 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.711 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.04 -22.16 66.94 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 119.196 -1.002 . . . . 0.0 111.326 178.136 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.764 HG11 HG23 ' A' ' 6' ' ' ILE . 2.8 t -69.74 -57.78 7.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.586 0 C-N-CA 127.179 2.192 . . . . 0.0 110.667 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.9 mt -56.81 -50.82 73.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 125.343 1.652 . . . . 0.0 110.366 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.16 -21.68 65.8 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 125.323 1.639 . . . . 0.0 112.111 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -88.04 -9.22 54.04 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 124.238 0.961 . . . . 0.0 113.276 175.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.789 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.6 t80 -117.74 -2.33 11.41 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 124.747 1.279 . . . . 0.0 110.346 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -111.28 -39.69 4.64 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.76 -26.93 63.57 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 113.851 -1.522 . . . . 0.0 110.519 175.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 36' ' ' PHE . 1.4 m -83.95 7.09 19.43 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 113.508 -1.678 . . . . 0.0 113.037 174.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 56.97 54.2 7.26 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 122.226 1.012 . . . . 0.0 111.249 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm 37.86 58.56 1.41 Allowed 'General case' 0 C--N 1.35 0.63 0 CA-C-N 112.945 -1.934 . . . . 0.0 113.338 170.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -106.85 -146.95 0.4 Allowed 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 113.279 -1.782 . . . . 0.0 107.715 -172.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -135.23 -76.46 0.45 Allowed 'General case' 0 C--N 1.355 0.818 0 C-N-CA 119.707 -0.797 . . . . 0.0 110.077 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -23.41 64.76 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.508 -1.678 . . . . 0.0 111.085 177.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -45.47 35.78 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 125.13 1.519 . . . . 0.0 109.67 -177.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.758 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -62.79 -47.82 81.79 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 113.431 -1.713 . . . . 0.0 111.888 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.99 74.56 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 125.075 1.485 . . . . 0.0 110.074 174.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.87 -32.97 68.2 Favored 'General case' 0 C--O 1.214 -0.811 0 C-N-CA 118.47 -1.292 . . . . 0.0 112.63 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.402 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 5.6 t80 -62.3 -55.2 30.53 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 124.278 0.986 . . . . 0.0 109.93 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -69.32 -29.2 66.99 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 114.306 -1.315 . . . . 0.0 112.14 -171.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -85.94 -25.22 26.2 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.723 -175.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.9 t -89.38 -6.45 56.61 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.47 -1.695 . . . . 0.0 112.184 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -77.56 87.51 3.88 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 124.507 1.129 . . . . 0.0 109.003 173.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -49.23 125.01 10.0 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 111.951 -2.386 . . . . 0.0 111.161 171.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -173.71 110.46 0.17 Allowed 'General case' 0 C--N 1.353 0.749 0 CA-C-N 111.92 -2.4 . . . . 0.0 108.776 -173.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -110.69 -149.65 0.45 Allowed 'General case' 0 C--N 1.351 0.634 0 CA-C-N 113.498 -1.683 . . . . 0.0 108.955 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -42.41 -55.7 3.31 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 125.038 1.461 . . . . 0.0 112.798 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.833 0 CA-C-N 113.751 -1.568 . . . . 0.0 109.457 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 . . . . . 0 C--O 1.221 -0.396 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -134.42 0.25 3.03 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 113.31 -1.768 . . . . 0.0 113.103 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.432 ' HA ' HD12 ' A' ' 6' ' ' ILE . 5.0 ptmt -53.85 -20.42 5.84 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 125.289 1.618 . . . . 0.0 114.608 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.91 -46.27 72.05 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.402 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -70.88 -17.03 62.73 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 116.877 -1.929 . . . . 0.0 110.64 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.731 HD11 HD11 ' A' ' 20' ' ' ILE . 30.6 mt -71.84 -33.47 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 119.156 -1.017 . . . . 0.0 111.57 -173.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 9.7 pt-20 -78.61 -17.75 55.59 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 124.286 0.991 . . . . 0.0 110.959 176.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.759 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -82.6 -54.21 5.34 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 124.858 1.349 . . . . 0.0 110.192 -177.238 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.758 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.4 mt -52.94 -49.78 65.33 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 126.567 2.417 . . . . 0.0 108.693 173.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -63.97 -33.81 76.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 118.972 -1.091 . . . . 0.0 113.09 174.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.08 -18.95 65.68 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 124.351 1.032 . . . . 0.0 112.721 -176.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.3 mp -77.73 5.13 9.98 Favored 'General case' 0 CA--C 1.562 1.413 0 O-C-N 124.224 0.952 . . . . 0.0 111.886 175.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.63 27.33 9.15 Favored Glycine 0 C--N 1.358 1.796 0 O-C-N 123.722 0.639 . . . . 0.0 112.62 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 11.9 m-30 -108.42 -144.82 0.39 Allowed 'General case' 0 C--N 1.358 0.935 0 O-C-N 125.134 1.137 . . . . 0.0 108.671 -173.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.7 tt0 -162.24 141.87 9.67 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.409 1.068 . . . . 0.0 108.923 -175.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.83 -24.99 0.45 Allowed 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 127.256 2.223 . . . . 0.0 114.39 -173.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.06 -50.37 8.03 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.435 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.816 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.91 -20.75 66.33 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 118.784 -1.166 . . . . 0.0 110.513 176.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.633 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -74.86 -60.2 2.6 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.619 0 C-N-CA 127.398 2.279 . . . . 0.0 111.095 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.731 HD11 HD11 ' A' ' 6' ' ' ILE . 5.9 mm -59.36 -46.61 92.42 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 O-C-N 125.509 1.756 . . . . 0.0 110.805 -178.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.82 -28.98 67.23 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 125.737 1.898 . . . . 0.0 111.493 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -78.19 -17.23 57.06 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 124.536 1.148 . . . . 0.0 112.906 175.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.758 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.4 t80 -100.12 -25.45 14.28 Favored 'General case' 0 C--O 1.219 -0.553 0 O-C-N 125.072 1.482 . . . . 0.0 109.071 -177.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.37 -37.92 13.67 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 123.996 0.81 . . . . 0.0 109.95 -175.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.32 -25.22 62.32 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 113.854 -1.521 . . . . 0.0 110.769 176.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.468 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.4 m -84.17 8.68 14.88 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 113.824 -1.535 . . . . 0.0 112.452 173.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 55.47 57.93 4.98 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 122.376 1.084 . . . . 0.0 111.308 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm 33.88 59.14 0.57 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 112.594 -2.093 . . . . 0.0 113.921 174.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -104.87 -143.12 0.37 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 114.242 -1.344 . . . . 0.0 108.639 -170.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -140.61 -75.59 0.33 Allowed 'General case' 0 C--N 1.352 0.705 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.194 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -23.7 64.72 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.217 -1.811 . . . . 0.0 111.052 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -76.82 -45.8 27.26 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 125.194 1.558 . . . . 0.0 109.558 -176.83 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.759 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -61.63 -47.19 86.55 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 113.396 -1.729 . . . . 0.0 111.891 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.82 -48.6 75.13 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 125.195 1.559 . . . . 0.0 109.72 174.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -58.02 -33.56 69.08 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 118.527 -1.269 . . . . 0.0 112.691 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -63.03 -53.34 55.43 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 124.37 1.044 . . . . 0.0 109.785 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.816 HD23 HD12 ' A' ' 18' ' ' LEU . 1.1 mt -70.23 -30.4 67.47 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 113.678 -1.601 . . . . 0.0 112.3 -170.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.568 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -86.7 -26.53 24.22 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 113.821 -1.536 . . . . 0.0 109.725 -175.568 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.9 t -79.11 -16.36 56.83 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 113.067 -1.879 . . . . 0.0 112.037 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.523 ' OE1' HD13 ' A' ' 18' ' ' LEU . 35.9 mt-30 -57.95 100.77 0.06 Allowed 'General case' 0 C--N 1.357 0.9 0 O-C-N 124.987 1.429 . . . . 0.0 110.903 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -64.02 134.63 55.37 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 111.571 -2.558 . . . . 0.0 108.891 -176.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -173.96 123.18 0.33 Allowed 'General case' 0 C--N 1.347 0.457 0 CA-C-N 112.879 -1.964 . . . . 0.0 107.595 -172.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -96.08 -59.33 1.87 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 112.898 -1.955 . . . . 0.0 108.688 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 174.05 -89.46 0.0 OUTLIER 'General case' 0 C--N 1.356 0.858 0 O-C-N 125.97 2.044 . . . . 0.0 108.287 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 C--N 1.354 0.786 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.226 -174.934 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 . . . . . 0 CA--C 1.535 0.394 0 CA-C-O 120.924 0.392 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.458 ' OE2' ' HB3' ' A' ' 5' ' ' ALA . 1.8 tm-20 -96.39 -15.03 22.05 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 125.009 1.443 . . . . 0.0 111.021 -178.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.427 ' HA ' HD12 ' A' ' 6' ' ' ILE . 1.8 pttm -48.0 -22.83 0.66 Allowed 'General case' 0 C--N 1.362 1.131 0 O-C-N 125.025 1.453 . . . . 0.0 114.673 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -48.87 74.13 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 113.429 -1.714 . . . . 0.0 110.99 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.458 ' HB3' ' OE2' ' A' ' 2' ' ' GLU . . . -75.64 -17.08 60.11 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-N 112.502 -2.135 . . . . 0.0 110.834 175.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.718 ' CD1' HD11 ' A' ' 20' ' ' ILE . 27.0 mt -70.83 -41.48 77.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 C-N-CA 117.989 -1.484 . . . . 0.0 111.411 -177.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.83 -18.1 63.43 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 117.965 -1.494 . . . . 0.0 112.385 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.779 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -82.45 -55.52 4.44 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 124.985 1.428 . . . . 0.0 109.925 -176.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.749 HD11 ' CD1' ' A' ' 23' ' ' TYR . 11.4 mt -49.71 -50.6 43.34 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 126.348 2.28 . . . . 0.0 109.187 174.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.597 ' HD2' HG22 ' A' ' 6' ' ' ILE . 53.9 mtpt -63.77 -35.81 81.81 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.851 177.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.24 -19.76 65.92 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 124.762 1.289 . . . . 0.0 112.826 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.8 mp -77.28 4.82 9.75 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 124.262 0.976 . . . . 0.0 111.791 175.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.7 23.07 9.63 Favored Glycine 0 C--N 1.357 1.732 0 O-C-N 123.946 0.779 . . . . 0.0 112.719 176.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.613 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 6.6 m-30 -107.56 -146.33 0.4 Allowed 'General case' 0 C--N 1.357 0.923 0 O-C-N 125.191 1.171 . . . . 0.0 108.566 -173.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.512 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.4 tp10 -163.42 142.11 8.08 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.385 1.053 . . . . 0.0 108.527 -176.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -45.69 -24.69 0.39 Allowed 'General case' 0 CA--C 1.555 1.137 0 O-C-N 126.137 2.148 . . . . 0.0 114.526 -173.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -52.9 7.14 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 123.67 0.607 . . . . 0.0 110.772 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.744 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -69.13 -15.73 63.49 Favored 'General case' 0 C--N 1.357 0.931 0 O-C-N 124.686 1.241 . . . . 0.0 111.365 179.036 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.706 HG11 HG23 ' A' ' 6' ' ' ILE . 2.6 t -78.93 -58.38 4.1 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.621 0 O-C-N 126.059 2.099 . . . . 0.0 109.994 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.718 HD11 ' CD1' ' A' ' 6' ' ' ILE . 6.5 mm -57.75 -49.91 79.29 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 O-C-N 125.604 1.815 . . . . 0.0 111.122 -178.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -67.97 -29.27 68.27 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 125.4 1.688 . . . . 0.0 111.681 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -77.3 -18.91 57.13 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 124.527 1.142 . . . . 0.0 112.827 177.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.749 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.5 t80 -97.99 -27.36 14.28 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 125.352 1.657 . . . . 0.0 109.3 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.12 -39.14 14.8 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 124.209 0.943 . . . . 0.0 110.046 -175.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.04 -26.24 64.88 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 125.301 1.626 . . . . 0.0 110.592 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.614 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -83.5 4.74 26.63 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 113.757 -1.565 . . . . 0.0 113.046 175.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 57.01 61.97 2.4 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-O 122.195 0.997 . . . . 0.0 111.151 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm 29.21 60.38 0.15 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.691 2.396 . . . . 0.0 112.953 174.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -104.66 -142.71 0.37 Allowed 'General case' 0 C--N 1.356 0.848 0 CA-C-N 113.534 -1.667 . . . . 0.0 108.102 -171.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -140.5 -75.89 0.33 Allowed 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.861 0.726 . . . . 0.0 110.306 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -21.8 62.79 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 113.257 -1.792 . . . . 0.0 111.267 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.614 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -78.23 -48.35 15.98 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 125.421 1.701 . . . . 0.0 109.736 -178.732 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.797 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -60.8 -45.27 95.07 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 113.533 -1.667 . . . . 0.0 111.695 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.07 -48.23 79.08 Favored 'General case' 0 C--O 1.209 -1.035 0 O-C-N 125.231 1.582 . . . . 0.0 109.8 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -55.65 -36.91 67.56 Favored 'General case' 0 C--O 1.204 -1.311 0 C-N-CA 117.951 -1.5 . . . . 0.0 112.915 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -59.56 -54.44 46.55 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 124.399 1.062 . . . . 0.0 110.916 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -71.33 -28.98 64.47 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 113.806 -1.543 . . . . 0.0 111.731 -170.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.613 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -85.09 -25.91 27.26 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 113.952 -1.476 . . . . 0.0 110.202 -176.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.1 m -74.58 -22.4 58.99 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 113.416 -1.72 . . . . 0.0 111.394 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -83.53 76.99 9.91 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 125.196 1.56 . . . . 0.0 109.916 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.05 126.73 7.81 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 112.89 -1.959 . . . . 0.0 111.68 170.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.2 t80 177.5 81.86 0.01 OUTLIER 'General case' 0 C--N 1.354 0.804 0 CA-C-N 111.947 -2.388 . . . . 0.0 108.682 -174.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.1 t70 177.73 -80.69 0.0 OUTLIER 'General case' 0 C--N 1.355 0.806 0 O-C-N 125.234 1.583 . . . . 0.0 108.265 175.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.12 105.21 0.18 Allowed 'General case' 0 C--N 1.353 0.742 0 CA-C-N 113.339 -1.755 . . . . 0.0 107.534 -174.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.74 0 CA-C-N 113.107 -1.86 . . . . 0.0 108.296 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 . . . . . 0 CA--C 1.541 0.629 0 CA-C-O 121.337 0.589 . . . . 0.0 112.149 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -106.58 -7.18 17.55 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.679 -1.6 . . . . 0.0 111.255 -175.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -52.84 -19.61 2.65 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.991 1.432 . . . . 0.0 114.416 178.312 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.61 -44.45 82.07 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 124.812 1.32 . . . . 0.0 112.034 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.416 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -76.27 -14.33 60.12 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 113.256 -1.793 . . . . 0.0 111.005 176.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.767 ' CD1' HD11 ' A' ' 20' ' ' ILE . 30.0 mt -75.2 -27.13 19.34 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 C-N-CA 118.205 -1.398 . . . . 0.0 111.71 -175.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -84.01 -16.15 45.04 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 124.151 0.907 . . . . 0.0 111.268 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.797 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.37 -55.16 4.15 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 124.751 1.282 . . . . 0.0 110.213 -177.585 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.738 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.9 mt -51.57 -49.97 61.03 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 126.49 2.369 . . . . 0.0 108.92 172.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -60.17 -38.27 82.67 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.842 -1.072 . . . . 0.0 113.307 174.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.71 -19.44 65.9 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 124.378 1.049 . . . . 0.0 113.011 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.1 mp -76.92 3.99 10.91 Favored 'General case' 0 CA--C 1.559 1.321 0 O-C-N 124.178 0.924 . . . . 0.0 111.993 176.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.93 24.2 9.29 Favored Glycine 0 C--N 1.359 1.834 0 O-C-N 123.852 0.72 . . . . 0.0 112.756 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.7 m-30 -106.61 -144.79 0.38 Allowed 'General case' 0 C--N 1.357 0.932 0 O-C-N 125.186 1.168 . . . . 0.0 108.768 -174.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 19' ' ' VAL . 3.6 tt0 -162.47 139.79 8.16 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -176.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -47.64 -22.84 0.56 Allowed 'General case' 0 CA--C 1.556 1.18 0 O-C-N 125.603 1.814 . . . . 0.0 113.972 -173.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.43 -52.18 7.53 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.068 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.708 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -67.42 -19.16 65.34 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 118.461 -1.296 . . . . 0.0 110.975 177.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.673 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -74.79 -59.45 3.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 C-N-CA 127.485 2.314 . . . . 0.0 110.508 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.767 HD11 ' CD1' ' A' ' 6' ' ' ILE . 6.8 mm -58.04 -47.16 87.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.35 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -71.06 -27.94 64.01 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 125.429 1.705 . . . . 0.0 111.669 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -76.68 -19.33 57.85 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 124.622 1.201 . . . . 0.0 112.575 175.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.738 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.2 t80 -97.45 -29.05 13.71 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 125.214 1.571 . . . . 0.0 108.832 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.21 -38.22 16.56 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 124.077 0.861 . . . . 0.0 110.181 -176.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.96 -26.04 64.84 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.584 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.5 m -85.99 10.55 13.8 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 113.617 -1.629 . . . . 0.0 112.835 174.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 55.36 58.02 4.96 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 122.418 1.104 . . . . 0.0 111.46 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt 31.76 60.36 0.31 Allowed 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 112.451 -2.159 . . . . 0.0 113.708 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -106.05 -147.69 0.4 Allowed 'General case' 0 C--N 1.361 1.096 0 CA-C-N 114.578 -1.192 . . . . 0.0 108.686 -172.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -134.28 -76.22 0.47 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-O 121.457 0.646 . . . . 0.0 110.671 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.46 -21.29 64.04 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 113.251 -1.795 . . . . 0.0 111.121 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.443 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.97 -46.58 20.71 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 125.253 1.595 . . . . 0.0 109.924 -177.563 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.815 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -60.99 -46.74 89.54 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.691 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.13 78.98 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.324 174.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -33.48 67.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 118.702 -1.199 . . . . 0.0 112.798 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.32 -50.91 63.84 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 124.441 1.088 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.815 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -73.28 -29.32 62.65 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 113.62 -1.627 . . . . 0.0 111.711 -171.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.591 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -85.59 -26.25 26.21 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 114.208 -1.36 . . . . 0.0 110.479 -175.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 t -67.8 -35.29 78.37 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 113.212 -1.813 . . . . 0.0 110.886 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -91.0 100.59 13.42 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 125.133 1.521 . . . . 0.0 109.646 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -52.3 132.96 34.67 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 111.419 -2.628 . . . . 0.0 110.276 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -176.63 51.24 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.041 0 O-C-N 125.3 1.625 . . . . 0.0 109.51 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -170.83 -74.97 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.458 -1.246 . . . . 0.0 108.362 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -142.75 -73.35 0.3 Allowed 'General case' 0 C--N 1.357 0.892 0 CA-C-N 113.685 -1.598 . . . . 0.0 107.826 -175.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 CA--C 1.55 0.956 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.656 -176.427 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.395 0 CA-C-O 122.076 0.941 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 85.84 5.73 0.44 Allowed 'General case' 0 C--N 1.349 0.555 0 CA-C-N 111.462 -2.608 . . . . 0.0 113.245 177.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.427 ' HA ' HD12 ' A' ' 6' ' ' ILE . 7.0 pttm -58.06 -18.52 25.09 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 124.775 1.297 . . . . 0.0 114.196 -177.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -43.44 80.23 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 124.624 1.202 . . . . 0.0 111.479 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.35 -19.16 60.55 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.48 176.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.791 ' CD1' HD11 ' A' ' 20' ' ' ILE . 27.8 mt -69.96 -42.18 79.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.827 0 C-N-CA 118.257 -1.377 . . . . 0.0 111.212 -173.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.18 -17.7 63.83 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 119.353 -0.939 . . . . 0.0 112.506 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.75 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -82.17 -57.31 3.45 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.445 1.091 . . . . 0.0 110.428 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.686 HD11 ' CD1' ' A' ' 23' ' ' TYR . 12.7 mt -47.59 -50.36 24.29 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 127.666 2.386 . . . . 0.0 109.186 173.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.691 ' HD2' HG22 ' A' ' 6' ' ' ILE . 8.9 mtpm? -64.88 -36.42 84.29 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.396 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.79 -19.61 65.78 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.582 -1.19 . . . . 0.0 112.702 -177.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.75 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.9 mp -76.25 3.46 10.76 Favored 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.142 0.901 . . . . 0.0 111.674 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.06 23.58 8.5 Favored Glycine 0 C--N 1.358 1.753 0 O-C-N 123.675 0.609 . . . . 0.0 112.589 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.0 m-30 -108.01 -146.19 0.4 Allowed 'General case' 0 C--N 1.354 0.784 0 O-C-N 125.005 1.062 . . . . 0.0 108.244 -173.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.497 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.8 tp10 -160.24 141.21 12.13 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -175.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.19 -27.65 0.43 Allowed 'General case' 0 CA--C 1.554 1.119 0 O-C-N 125.239 1.587 . . . . 0.0 114.764 -176.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.54 -50.63 10.43 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.244 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.709 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -68.13 -20.52 64.91 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.485 1.116 . . . . 0.0 111.089 178.178 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.752 ' HA ' HD21 ' A' ' 37' ' ' LEU . 3.2 t -76.5 -55.77 10.11 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 126.944 2.098 . . . . 0.0 110.482 -177.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.791 HD11 ' CD1' ' A' ' 6' ' ' ILE . 8.0 mm -62.12 -43.31 97.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 CA-C-N 113.365 -1.743 . . . . 0.0 110.669 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -74.74 -25.94 59.45 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 125.822 1.951 . . . . 0.0 111.332 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -78.79 -18.07 54.71 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.712 1.258 . . . . 0.0 112.318 174.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.686 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -93.54 -40.23 10.42 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 124.901 1.375 . . . . 0.0 108.766 -179.726 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.44 -40.44 57.57 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 125.092 1.495 . . . . 0.0 110.247 -175.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.24 -26.17 64.65 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 124.697 1.248 . . . . 0.0 110.616 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.455 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -83.37 4.77 26.01 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.965 -1.47 . . . . 0.0 112.823 175.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 59.25 62.6 1.78 Allowed 'General case' 0 C--N 1.358 0.956 0 O-C-N 123.861 0.725 . . . . 0.0 110.244 -175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? 27.86 63.22 0.1 Allowed 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 113.811 -1.54 . . . . 0.0 113.77 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.424 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 7.2 t-20 -109.8 -148.17 0.42 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-N 113.194 -1.821 . . . . 0.0 107.368 -174.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -142.98 -71.01 0.32 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.631 0.651 . . . . 0.0 110.196 -176.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -22.39 66.63 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.776 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.455 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -79.52 -43.32 23.32 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 124.903 1.377 . . . . 0.0 109.468 -178.823 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.791 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -61.76 -47.29 85.85 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 113.476 -1.693 . . . . 0.0 111.689 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.67 -49.37 75.29 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 124.916 1.385 . . . . 0.0 109.672 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.23 -38.83 68.97 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 118.689 -1.204 . . . . 0.0 112.253 178.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -58.03 -56.59 20.08 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.039 0.837 . . . . 0.0 110.484 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -68.49 -29.28 67.86 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 125.319 1.637 . . . . 0.0 112.093 -170.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.583 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -86.82 -26.09 24.23 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 124.974 1.421 . . . . 0.0 109.713 -177.147 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.6 m -81.83 -16.97 49.1 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 113.454 -1.703 . . . . 0.0 111.322 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -58.7 115.47 3.08 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 118.521 -1.272 . . . . 0.0 111.354 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -66.75 120.78 14.1 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 111.515 -2.584 . . . . 0.0 109.602 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -152.9 108.06 3.24 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 111.826 -2.443 . . . . 0.0 107.678 -173.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 55.06 -148.86 0.47 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-N 112.232 -2.258 . . . . 0.0 108.675 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 34.09 59.43 0.59 Allowed 'General case' 0 C--N 1.358 0.951 0 O-C-N 124.941 1.4 . . . . 0.0 112.46 170.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 CA--C 1.544 0.719 0 CA-C-N 113.176 -1.829 . . . . 0.0 109.073 -173.599 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 121.915 0.864 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -93.16 -10.72 34.84 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 113.204 -1.817 . . . . 0.0 112.068 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.5 ' HA ' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -61.86 -17.81 57.8 Favored 'General case' 0 C--N 1.357 0.926 0 O-C-N 125.539 1.774 . . . . 0.0 113.149 179.761 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -44.57 90.0 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 114.117 -1.401 . . . . 0.0 111.448 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.41 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -73.87 -15.29 61.16 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 113.426 -1.715 . . . . 0.0 110.639 177.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.5 HG12 ' HA ' ' A' ' 3' ' ' LYS . 45.2 mm -72.7 -41.89 62.28 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 C-N-CA 118.719 -1.192 . . . . 0.0 112.214 -170.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.91 -17.54 61.5 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 125.108 1.505 . . . . 0.0 111.614 175.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.742 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.32 -54.49 5.89 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 124.913 1.383 . . . . 0.0 110.274 -178.49 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.719 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.6 mt -57.02 -45.23 83.24 Favored 'General case' 0 CA--C 1.551 0.986 0 O-C-N 126.39 2.306 . . . . 0.0 108.123 176.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -37.8 86.08 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.82 174.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.53 -19.17 65.72 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.69 -174.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.2 mp -76.87 3.06 12.84 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 124.29 0.994 . . . . 0.0 111.976 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.94 23.51 8.6 Favored Glycine 0 C--N 1.359 1.817 0 O-C-N 123.882 0.739 . . . . 0.0 113.064 176.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.636 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.6 m-30 -108.23 -147.16 0.41 Allowed 'General case' 0 C--N 1.359 1.002 0 O-C-N 124.922 1.013 . . . . 0.0 109.216 -172.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -155.94 136.44 13.22 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -177.53 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -46.34 -20.61 0.12 Allowed 'General case' 0 CA--C 1.56 1.332 0 O-C-N 125.588 1.805 . . . . 0.0 114.611 -175.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -80.31 -53.95 6.17 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.769 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.725 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.64 -22.31 66.64 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.464 178.652 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.764 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -72.02 -57.71 6.71 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 C-N-CA 127.869 2.468 . . . . 0.0 110.329 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.91 -49.21 79.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 125.042 1.463 . . . . 0.0 109.859 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -70.92 -24.32 62.43 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 125.747 1.904 . . . . 0.0 112.18 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -80.73 -11.78 59.57 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 124.286 0.991 . . . . 0.0 112.802 174.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.719 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.2 t80 -107.86 -24.38 11.68 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 124.929 1.393 . . . . 0.0 109.961 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.35 -42.12 11.74 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 124.433 1.083 . . . . 0.0 109.397 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.98 -25.94 62.93 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 113.907 -1.497 . . . . 0.0 111.128 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.46 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.1 m -81.34 2.13 29.66 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 113.981 -1.463 . . . . 0.0 112.728 175.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 59.25 61.21 2.12 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-O 122.212 1.006 . . . . 0.0 110.637 -176.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.0 60.69 0.32 Allowed 'General case' 0 C--N 1.35 0.607 0 CA-C-N 113.049 -1.887 . . . . 0.0 113.756 175.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -105.53 -148.91 0.41 Allowed 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.896 -1.956 . . . . 0.0 107.631 -173.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -141.88 -72.62 0.32 Allowed 'General case' 0 C--N 1.35 0.62 0 O-C-N 123.881 0.738 . . . . 0.0 110.035 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -21.94 66.25 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 113.667 -1.606 . . . . 0.0 110.788 178.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -80.63 -43.4 20.54 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 125.067 1.479 . . . . 0.0 109.583 -178.087 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.797 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -60.0 -48.4 81.86 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 112.789 -2.005 . . . . 0.0 111.906 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.14 -48.34 80.55 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 124.89 1.369 . . . . 0.0 109.986 174.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.2 -33.48 65.36 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 118.669 -1.213 . . . . 0.0 113.196 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -62.06 -56.64 16.95 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 124.687 1.242 . . . . 0.0 109.931 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -69.33 -30.57 68.64 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 124.866 1.353 . . . . 0.0 112.765 -169.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.636 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -83.16 -25.87 31.45 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 113.811 -1.54 . . . . 0.0 110.176 -174.652 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.4 t -79.9 -12.92 59.71 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 113.298 -1.774 . . . . 0.0 112.208 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -75.77 96.93 3.74 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 124.355 1.034 . . . . 0.0 109.242 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.21 129.85 39.43 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 112.87 -1.968 . . . . 0.0 108.119 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -174.06 111.52 0.17 Allowed 'General case' 0 C--N 1.349 0.552 0 O-C-N 125.494 1.746 . . . . 0.0 107.194 -177.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -174.92 -44.49 0.01 OUTLIER 'General case' 0 C--N 1.349 0.562 0 O-C-N 124.649 1.218 . . . . 0.0 109.501 172.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 62.04 29.88 17.77 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-N 113.188 -1.824 . . . . 0.0 112.685 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 . . . . . 0 CA--C 1.544 0.728 0 O-C-N 124.951 1.407 . . . . 0.0 109.97 -175.243 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 . . . . . 0 CA--C 1.539 0.526 0 CA-C-O 121.027 0.441 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.28 4.53 8.47 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.652 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -59.36 -19.66 48.52 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 125.024 1.452 . . . . 0.0 113.387 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.08 -40.44 86.98 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.513 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.414 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -76.21 -19.15 58.65 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 112.832 -1.985 . . . . 0.0 110.718 175.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.567 HG22 ' HD2' ' A' ' 10' ' ' LYS . 26.3 mm -69.11 -45.79 79.26 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 C-N-CA 118.343 -1.343 . . . . 0.0 110.753 -174.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -68.54 -17.37 64.14 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 124.214 0.946 . . . . 0.0 113.153 175.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.72 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -82.16 -55.52 4.5 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 124.58 1.175 . . . . 0.0 109.941 -177.769 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.785 HD11 ' CD2' ' A' ' 23' ' ' TYR . 9.3 mt -51.43 -49.06 62.39 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 127.081 2.152 . . . . 0.0 109.093 174.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.568 ' HG3' HG21 ' A' ' 19' ' ' VAL . 48.8 mtpt -63.94 -35.53 80.98 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.548 177.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.82 -19.47 65.75 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 114.286 -1.325 . . . . 0.0 112.503 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.9 mp -77.4 4.88 9.87 Favored 'General case' 0 CA--C 1.56 1.353 0 O-C-N 124.089 0.868 . . . . 0.0 111.767 175.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.64 21.87 10.07 Favored Glycine 0 C--N 1.355 1.622 0 O-C-N 123.717 0.635 . . . . 0.0 112.668 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.604 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.7 m-30 -107.03 -147.37 0.41 Allowed 'General case' 0 CA--C 1.545 0.755 0 O-C-N 125.029 1.076 . . . . 0.0 108.337 -173.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 19' ' ' VAL . 20.4 tt0 -161.28 142.4 11.41 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 124.283 0.989 . . . . 0.0 108.374 -176.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -24.7 0.4 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.864 1.666 . . . . 0.0 114.683 -174.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.57 -51.81 7.86 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.867 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.806 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.82 -22.75 66.57 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 124.326 1.017 . . . . 0.0 111.225 177.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.843 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -74.68 -57.12 7.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 C-N-CA 128.413 2.685 . . . . 0.0 110.944 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 mt -55.31 -54.72 21.93 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 O-C-N 125.247 1.592 . . . . 0.0 109.697 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 39.5 tt0 -62.29 -26.84 68.63 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 125.254 1.596 . . . . 0.0 112.366 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -84.68 -9.45 58.23 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 124.199 0.937 . . . . 0.0 113.424 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.785 ' CD2' HD11 ' A' ' 9' ' ' LEU . 1.8 t80 -119.15 -3.44 10.6 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 124.591 1.182 . . . . 0.0 109.984 -178.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.2 -40.02 4.56 Favored 'General case' 0 C--N 1.346 0.425 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 21' ' ' GLN . . . -72.04 -27.56 62.79 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 124.864 1.353 . . . . 0.0 110.513 174.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.91 1.81 25.78 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 114.144 -1.389 . . . . 0.0 112.905 175.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 58.71 61.48 2.18 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.133 0.895 . . . . 0.0 111.013 -176.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? 32.64 55.19 0.39 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-N 112.656 -2.065 . . . . 0.0 112.685 170.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -100.2 -142.03 0.33 Allowed 'General case' 0 C--N 1.35 0.615 0 CA-C-N 112.644 -2.071 . . . . 0.0 107.338 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -143.6 -78.56 0.22 Allowed 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.732 0.645 . . . . 0.0 109.517 -177.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.58 -21.74 65.84 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 114.059 -1.428 . . . . 0.0 111.343 176.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.17 -42.88 22.56 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 125.079 1.487 . . . . 0.0 109.644 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.745 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -66.06 -45.53 81.01 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.032 -1.894 . . . . 0.0 111.164 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.36 -49.39 72.39 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 125.49 1.743 . . . . 0.0 109.971 172.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -34.88 60.62 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 118.866 -1.134 . . . . 0.0 113.104 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.51 -54.8 38.53 Favored 'General case' 0 CA--C 1.55 0.976 0 O-C-N 124.295 0.997 . . . . 0.0 110.869 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.843 HD21 ' HA ' ' A' ' 19' ' ' VAL . 1.7 mp -71.65 -28.96 64.11 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.679 -170.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.604 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.82 -26.89 31.28 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 125.171 1.544 . . . . 0.0 109.499 -177.182 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -67.55 -24.65 65.56 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 113.483 -1.69 . . . . 0.0 112.446 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.407 ' OE1' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -43.29 101.01 0.02 OUTLIER 'General case' 0 C--N 1.359 0.983 0 O-C-N 125.307 1.629 . . . . 0.0 111.585 178.05 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -61.58 132.16 52.42 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 112.566 -2.106 . . . . 0.0 109.782 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.2 t80 179.5 139.86 0.11 Allowed 'General case' 0 C--N 1.35 0.599 0 CA-C-N 112.506 -2.134 . . . . 0.0 108.131 -171.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 t70 49.15 79.92 0.07 Allowed 'General case' 0 C--N 1.352 0.712 0 CA-C-N 113.166 -1.834 . . . . 0.0 110.93 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -148.09 32.79 0.83 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 113.396 -1.729 . . . . 0.0 109.82 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 . . . . . 0 CA--C 1.542 0.654 0 CA-C-N 114.285 -1.325 . . . . 0.0 109.458 177.386 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 CA--C 1.542 0.646 0 CA-C-O 121.475 0.655 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -118.05 -17.6 9.62 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 113.89 -1.505 . . . . 0.0 112.198 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -41.38 -27.81 0.1 Allowed 'General case' 0 C--N 1.358 0.969 0 O-C-N 125.465 1.728 . . . . 0.0 114.923 -178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -58.45 -56.34 23.4 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 113.942 -1.481 . . . . 0.0 111.211 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.47 -18.1 61.16 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 112.774 -2.012 . . . . 0.0 111.32 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.734 HD11 HD11 ' A' ' 20' ' ' ILE . 43.3 mt -65.42 -47.81 85.43 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 118.26 -1.376 . . . . 0.0 111.072 -174.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -68.52 -17.77 64.23 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 125.244 1.59 . . . . 0.0 112.128 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.762 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -80.58 -53.08 6.87 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 125.172 1.545 . . . . 0.0 110.265 -175.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.709 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.1 mt -55.75 -46.13 77.89 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 127.483 2.313 . . . . 0.0 108.341 174.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -35.82 82.03 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.564 -1.198 . . . . 0.0 112.777 175.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.34 -18.47 65.17 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.768 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.4 mp -77.46 4.24 11.51 Favored 'General case' 0 CA--C 1.558 1.277 0 O-C-N 124.207 0.942 . . . . 0.0 111.836 175.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.43 24.4 9.5 Favored Glycine 0 C--N 1.359 1.841 0 O-C-N 124.003 0.814 . . . . 0.0 112.972 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.619 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.0 m-30 -107.25 -145.17 0.39 Allowed 'General case' 0 C--N 1.357 0.934 0 O-C-N 125.056 1.092 . . . . 0.0 109.241 -173.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.4 tt0 -157.06 138.49 13.9 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.12 0.888 . . . . 0.0 109.09 -178.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG3' HG21 ' A' ' 6' ' ' ILE . 48.3 tt0 -45.51 -24.4 0.32 Allowed 'General case' 0 CA--C 1.558 1.284 0 O-C-N 125.842 1.964 . . . . 0.0 113.915 -175.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.1 -52.9 7.23 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.569 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.711 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.5 -22.43 66.73 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 118.955 -1.098 . . . . 0.0 110.734 177.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.712 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -70.05 -58.33 5.76 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 C-N-CA 127.688 2.395 . . . . 0.0 111.175 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.734 HD11 HD11 ' A' ' 6' ' ' ILE . 4.8 mm -57.01 -48.96 80.82 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 O-C-N 125.506 1.754 . . . . 0.0 110.437 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -70.3 -24.17 62.98 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 125.566 1.791 . . . . 0.0 112.258 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -82.86 -10.81 58.66 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.535 1.147 . . . . 0.0 112.95 174.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.709 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -108.49 -21.3 12.79 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 124.923 1.389 . . . . 0.0 110.135 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -92.01 -42.63 9.87 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.398 1.061 . . . . 0.0 108.989 -178.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.46 -25.89 62.49 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 114.012 -1.449 . . . . 0.0 111.227 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.7 0.51 34.13 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 114.018 -1.446 . . . . 0.0 112.829 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 57.5 67.41 0.98 Allowed 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.255 0.972 . . . . 0.0 110.919 -173.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 28.75 58.6 0.13 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 112.085 -2.325 . . . . 0.0 113.345 173.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.59 -162.14 0.82 Allowed 'General case' 0 C--N 1.35 0.601 0 CA-C-N 112.589 -2.096 . . . . 0.0 107.064 -175.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -129.81 -74.83 0.55 Allowed 'General case' 0 C--N 1.35 0.607 0 O-C-N 124.274 0.984 . . . . 0.0 109.344 -173.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -21.45 66.02 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.466 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -82.78 -41.22 19.41 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.992 1.432 . . . . 0.0 110.113 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.745 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -60.97 -49.13 78.68 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 112.59 -2.095 . . . . 0.0 111.776 177.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.05 -48.28 78.93 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 124.973 1.421 . . . . 0.0 109.942 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -56.32 -34.61 66.71 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 118.311 -1.356 . . . . 0.0 113.107 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -60.27 -54.31 47.26 Favored 'General case' 0 CA--C 1.55 0.979 0 O-C-N 124.375 1.047 . . . . 0.0 110.701 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.745 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.2 mp -72.25 -29.16 63.65 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 114.517 -1.22 . . . . 0.0 112.364 -171.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.619 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.78 -26.54 31.73 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.158 -1.383 . . . . 0.0 110.183 -176.003 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.7 t -77.56 -15.8 59.03 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 113.16 -1.837 . . . . 0.0 111.82 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -63.28 96.09 0.1 Allowed 'General case' 0 C--N 1.359 1.015 0 O-C-N 125.096 1.498 . . . . 0.0 110.078 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.58 131.28 14.25 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 112.075 -2.33 . . . . 0.0 111.443 175.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -173.21 125.54 0.42 Allowed 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 111.849 -2.432 . . . . 0.0 108.115 -173.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -161.07 126.98 3.83 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 112.902 -1.954 . . . . 0.0 108.064 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -74.85 -35.33 62.36 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 113.994 -1.457 . . . . 0.0 111.44 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 . . . . . 0 CA--C 1.547 0.857 0 O-C-N 125.263 1.602 . . . . 0.0 111.41 179.063 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.51 12.37 16.17 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 124.567 1.167 . . . . 0.0 111.614 177.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.486 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -52.85 -21.65 4.5 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -177.082 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -69.42 -39.02 78.13 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.68 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.41 -15.04 59.56 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 112.111 -2.313 . . . . 0.0 110.232 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.712 HD11 HD11 ' A' ' 20' ' ' ILE . 41.2 mt -75.79 -22.59 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 118.916 -1.114 . . . . 0.0 112.145 -175.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -88.02 -16.1 34.59 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 124.059 0.85 . . . . 0.0 110.633 174.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.786 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -85.0 -54.98 4.3 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.858 1.349 . . . . 0.0 110.306 -178.512 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.736 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.0 mt -52.2 -49.75 63.28 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 126.445 2.34 . . . . 0.0 108.717 172.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -62.47 -35.65 79.99 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 119.054 -1.058 . . . . 0.0 113.103 175.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.59 -19.39 65.9 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 124.508 1.13 . . . . 0.0 112.812 -176.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.1 mp -76.91 4.12 10.58 Favored 'General case' 0 CA--C 1.56 1.342 0 O-C-N 124.196 0.935 . . . . 0.0 111.988 175.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.14 26.21 8.47 Favored Glycine 0 C--N 1.358 1.752 0 O-C-N 123.803 0.69 . . . . 0.0 112.675 176.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.601 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.2 m-30 -107.98 -145.16 0.39 Allowed 'General case' 0 C--N 1.358 0.954 0 O-C-N 125.124 1.132 . . . . 0.0 108.913 -173.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.8 tp10 -159.9 140.66 12.18 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -51.75 -19.32 1.58 Allowed 'General case' 0 CA--C 1.56 1.335 0 O-C-N 125.275 1.609 . . . . 0.0 113.696 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -52.85 7.17 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 120.329 -0.548 . . . . 0.0 111.032 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.736 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.51 -20.65 66.09 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 124.768 1.292 . . . . 0.0 110.65 179.268 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.739 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.4 t -74.54 -57.9 5.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 C-N-CA 127.56 2.344 . . . . 0.0 111.067 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.712 HD11 HD11 ' A' ' 6' ' ' ILE . 5.1 mm -56.8 -51.06 72.18 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 O-C-N 125.521 1.763 . . . . 0.0 110.314 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -68.14 -23.28 64.86 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 125.754 1.909 . . . . 0.0 112.377 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -85.23 -15.22 44.29 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.537 1.148 . . . . 0.0 113.12 176.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.736 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.5 t80 -106.27 -14.87 14.99 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 125.004 1.44 . . . . 0.0 109.413 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -98.93 -38.94 8.81 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.82 -25.74 63.9 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 125.261 1.601 . . . . 0.0 110.765 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.508 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -84.11 5.87 24.46 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.93 -1.486 . . . . 0.0 112.851 175.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 59.36 55.07 4.38 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 122.154 0.978 . . . . 0.0 111.841 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? 31.86 52.91 0.24 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-N 112.94 -1.936 . . . . 0.0 113.144 173.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.6 -100.88 0.09 Allowed 'General case' 0 C--N 1.354 0.803 0 CA-C-N 111.896 -2.411 . . . . 0.0 107.31 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 170.4 -81.32 0.0 OUTLIER 'General case' 0 C--N 1.353 0.739 0 O-C-N 124.471 1.107 . . . . 0.0 109.068 -172.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.05 -23.02 66.22 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 113.836 -1.529 . . . . 0.0 110.641 179.032 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.508 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -76.94 -44.03 33.05 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 125.187 1.554 . . . . 0.0 109.599 179.504 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.819 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -62.66 -46.04 90.05 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.16 -1.836 . . . . 0.0 111.887 -177.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.28 -48.32 68.42 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 125.221 1.576 . . . . 0.0 109.95 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -57.39 -35.41 69.98 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 118.443 -1.303 . . . . 0.0 113.087 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.0 -51.91 66.12 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 124.397 1.061 . . . . 0.0 110.409 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.819 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -72.6 -30.42 64.34 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.229 -1.35 . . . . 0.0 112.087 -169.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.601 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -84.1 -26.24 29.1 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-N 114.11 -1.405 . . . . 0.0 110.2 -175.347 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.5 t -72.19 -25.04 61.52 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 113.149 -1.842 . . . . 0.0 111.14 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -79.34 89.28 4.95 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 124.875 1.36 . . . . 0.0 110.007 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -54.66 132.38 45.33 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 112.848 -1.978 . . . . 0.0 110.377 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.406 ' CG ' ' O ' ' A' ' 42' ' ' PHE . 70.6 t80 -172.24 26.82 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.27 0 O-C-N 124.905 1.378 . . . . 0.0 111.156 -174.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -171.24 -90.59 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.4 t70 53.76 91.47 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.907 0 O-C-N 125.375 1.672 . . . . 0.0 110.385 -173.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 . . . . . 0 CA--C 1.559 1.324 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.284 176.458 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.67 0 CA-C-O 121.757 0.789 . . . . 0.0 112.447 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -93.87 14.31 19.88 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 114.035 -1.439 . . . . 0.0 112.49 -170.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.541 ' HA ' HG12 ' A' ' 6' ' ' ILE . 31.5 pttt -60.64 -20.87 61.94 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 125.777 1.923 . . . . 0.0 112.957 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -39.29 84.72 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.546 1.154 . . . . 0.0 111.202 178.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.32 -15.95 60.45 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 112.996 -1.911 . . . . 0.0 110.377 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.541 HG12 ' HA ' ' A' ' 3' ' ' LYS . 29.8 mm -75.18 -27.1 19.35 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 C-N-CA 118.662 -1.215 . . . . 0.0 111.989 -172.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -85.89 -15.91 40.24 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.173 0.921 . . . . 0.0 111.344 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.7 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -84.23 -53.77 5.27 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.709 1.256 . . . . 0.0 109.81 -176.483 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.733 HD11 ' CD1' ' A' ' 23' ' ' TYR . 11.6 mt -56.39 -48.31 77.15 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 126.508 2.38 . . . . 0.0 108.604 175.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -61.64 -35.26 77.42 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.99 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.08 -18.83 65.5 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.455 1.097 . . . . 0.0 112.838 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.0 mp -77.17 5.34 8.53 Favored 'General case' 0 CA--C 1.557 1.241 0 O-C-N 124.169 0.918 . . . . 0.0 111.654 175.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.43 31.61 7.07 Favored Glycine 0 C--N 1.358 1.779 0 O-C-N 123.939 0.775 . . . . 0.0 112.288 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.571 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.6 m-30 -112.22 -145.36 0.4 Allowed 'General case' 0 C--N 1.359 1.02 0 O-C-N 125.424 1.308 . . . . 0.0 108.956 -175.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 19' ' ' VAL . 3.6 tp10 -160.11 141.34 12.41 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 -176.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -50.55 -20.07 1.07 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 125.143 1.527 . . . . 0.0 114.225 -175.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -53.82 6.33 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.913 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.703 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.93 -20.99 66.41 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 124.596 1.185 . . . . 0.0 110.953 179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.696 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.2 t -75.8 -59.18 3.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 C-N-CA 128.141 2.576 . . . . 0.0 110.91 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.0 mm -56.12 -47.66 80.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 O-C-N 125.197 1.561 . . . . 0.0 110.142 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -72.46 -25.87 61.6 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 125.583 1.802 . . . . 0.0 112.325 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -78.87 -16.09 57.51 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.363 1.04 . . . . 0.0 112.743 174.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.733 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -101.01 -29.78 11.99 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 124.913 1.383 . . . . 0.0 108.69 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -85.16 -39.99 17.22 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 124.332 1.02 . . . . 0.0 110.148 -176.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.59 -25.76 64.13 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 114.104 -1.407 . . . . 0.0 110.741 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.499 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -83.19 4.29 27.34 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.835 -1.529 . . . . 0.0 113.059 176.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 57.19 61.65 2.48 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 122.362 1.077 . . . . 0.0 111.311 -175.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm 30.64 58.19 0.22 Allowed 'General case' 0 C--N 1.354 0.767 0 C-N-CA 127.925 2.49 . . . . 0.0 112.938 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.0 -138.72 0.35 Allowed 'General case' 0 C--N 1.356 0.885 0 CA-C-N 113.355 -1.748 . . . . 0.0 108.793 -170.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.54 -70.88 0.19 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 119.161 -1.016 . . . . 0.0 109.658 -176.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -66.72 -21.26 66.08 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 112.73 -2.032 . . . . 0.0 110.728 176.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -80.05 -44.52 19.94 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 125.051 1.469 . . . . 0.0 109.729 -179.171 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.78 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -62.05 -47.52 84.32 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.846 -179.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.76 -48.82 76.99 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 125.201 1.563 . . . . 0.0 109.706 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -58.35 -33.22 69.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 118.364 -1.334 . . . . 0.0 112.722 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -62.25 -53.57 53.28 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 124.267 0.979 . . . . 0.0 110.028 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -71.45 -28.94 64.31 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 113.449 -1.705 . . . . 0.0 111.857 -170.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.571 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -86.43 -26.1 24.89 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 125.021 1.451 . . . . 0.0 110.13 -176.285 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.6 t -88.44 -6.09 57.86 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 113.637 -1.619 . . . . 0.0 111.823 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -172.05 3.73 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 176.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.94 122.02 39.28 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 113.626 -1.625 . . . . 0.0 107.389 -176.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -173.94 31.64 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.178 0 O-C-N 125.098 1.499 . . . . 0.0 110.344 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.74 179.8 1.61 Allowed 'General case' 0 C--N 1.351 0.647 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.437 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -157.35 50.49 0.45 Allowed 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.001 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.845 0 CA-C-N 114.103 -1.408 . . . . 0.0 110.778 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.503 0.192 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.25 6.96 5.38 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 125.115 1.509 . . . . 0.0 112.518 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.513 ' HA ' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -59.47 -19.72 49.86 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 125.533 1.77 . . . . 0.0 113.122 178.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.72 -41.87 87.21 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.861 1.35 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.38 -15.61 60.45 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 112.778 -2.01 . . . . 0.0 110.66 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.513 HG12 ' HA ' ' A' ' 3' ' ' LYS . 29.5 mm -77.11 -23.57 14.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 C-N-CA 118.629 -1.228 . . . . 0.0 112.3 -172.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 23.4 pt-20 -89.84 -15.5 32.11 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 124.377 1.048 . . . . 0.0 110.89 173.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.693 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -83.92 -53.42 5.59 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 124.71 1.256 . . . . 0.0 109.793 -176.463 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.72 HD11 ' CD1' ' A' ' 23' ' ' TYR . 11.6 mt -58.26 -47.77 82.54 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 126.529 2.393 . . . . 0.0 108.543 175.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -62.41 -33.75 75.39 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 119.343 -0.943 . . . . 0.0 112.686 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.07 -19.2 65.77 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 124.149 0.906 . . . . 0.0 112.601 -175.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.4 mp -77.7 4.37 11.72 Favored 'General case' 0 CA--C 1.561 1.384 0 O-C-N 124.144 0.902 . . . . 0.0 111.839 175.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.06 27.22 7.92 Favored Glycine 0 C--N 1.357 1.709 0 O-C-N 123.636 0.585 . . . . 0.0 112.858 175.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.578 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.7 m-30 -109.49 -145.11 0.39 Allowed 'General case' 0 CA--C 1.548 0.888 0 O-C-N 124.873 0.984 . . . . 0.0 108.77 -172.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 19' ' ' VAL . 5.7 tp10 -158.9 140.94 13.76 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -52.7 -17.86 1.53 Allowed 'General case' 0 CA--C 1.56 1.332 0 O-C-N 125.216 1.572 . . . . 0.0 113.714 -174.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.56 -53.97 6.09 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.968 177.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.704 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.45 -21.95 66.7 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 124.449 1.093 . . . . 0.0 111.162 179.697 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.736 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.2 t -74.9 -59.74 3.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 C-N-CA 127.93 2.492 . . . . 0.0 110.864 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mm -55.58 -46.34 79.12 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 O-C-N 125.136 1.522 . . . . 0.0 110.422 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -72.04 -29.21 63.94 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 125.962 2.038 . . . . 0.0 112.048 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -76.54 -16.79 59.53 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 124.12 0.888 . . . . 0.0 112.486 176.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.72 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.1 t80 -98.4 -39.76 8.62 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 124.863 1.352 . . . . 0.0 108.381 -177.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -74.11 -41.51 61.52 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 125.052 1.47 . . . . 0.0 110.799 -177.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.68 -25.09 63.72 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.607 1.192 . . . . 0.0 110.583 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.46 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -84.04 4.52 29.66 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 114.16 -1.382 . . . . 0.0 113.099 176.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 61.28 59.21 1.99 Allowed 'General case' 0 C--N 1.359 0.983 0 CA-C-O 122.148 0.975 . . . . 0.0 110.383 -176.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.99 50.97 0.37 Allowed 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 113.244 -1.798 . . . . 0.0 114.101 175.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -96.61 -144.08 0.28 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 113.207 -1.815 . . . . 0.0 108.194 -172.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -146.13 -72.85 0.23 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-O 121.495 0.664 . . . . 0.0 109.534 -177.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.78 -23.19 67.1 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.13 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -79.48 -43.34 23.38 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 124.859 1.349 . . . . 0.0 109.26 -178.312 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.797 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -62.02 -47.49 84.52 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 113.462 -1.699 . . . . 0.0 111.633 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.88 -49.61 72.9 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 124.987 1.43 . . . . 0.0 109.624 175.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -56.41 -36.74 69.28 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 118.382 -1.327 . . . . 0.0 112.94 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.94 -53.34 59.05 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 124.138 0.899 . . . . 0.0 110.592 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -70.83 -28.75 64.85 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 113.741 -1.572 . . . . 0.0 111.75 -170.517 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.578 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -87.45 -24.8 24.03 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 124.97 1.419 . . . . 0.0 109.955 -176.746 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 m -78.53 -30.05 46.82 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.901 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -81.87 98.8 8.69 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 125.058 1.473 . . . . 0.0 109.033 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -47.13 129.78 12.44 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.947 171.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -175.74 84.96 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 111.888 -2.414 . . . . 0.0 107.771 -174.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.1 p30 -149.44 79.59 1.39 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 112.714 -2.039 . . . . 0.0 109.612 177.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -26.98 16.14 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 113.924 -1.489 . . . . 0.0 112.422 176.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 . . . . . 0 CA--C 1.552 1.046 0 O-C-N 124.471 1.107 . . . . 0.0 110.208 173.608 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 121.091 0.472 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.432 ' CB ' ' HZ3' ' A' ' 28' ' ' LYS . 5.5 tp10 84.18 -5.99 1.06 Allowed 'General case' 0 C--N 1.355 0.835 0 O-C-N 126.001 2.063 . . . . 0.0 112.697 179.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -53.47 -19.74 3.96 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 125.307 1.63 . . . . 0.0 114.229 -176.536 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -49.73 61.54 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 113.724 -1.58 . . . . 0.0 109.861 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.428 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -70.1 -18.72 63.26 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 113.148 -1.842 . . . . 0.0 110.913 176.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.787 HD11 HD11 ' A' ' 20' ' ' ILE . 31.9 mt -69.37 -45.56 78.58 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 C-N-CA 118.828 -1.149 . . . . 0.0 111.056 -175.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -66.99 -18.96 65.63 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 119.14 -1.024 . . . . 0.0 112.353 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.76 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -80.38 -57.59 3.53 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 124.729 1.268 . . . . 0.0 110.256 -177.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.71 HD11 ' CD1' ' A' ' 23' ' ' TYR . 8.2 mt -47.39 -50.63 22.0 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 127.262 2.225 . . . . 0.0 109.329 173.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.706 ' HD2' HG22 ' A' ' 6' ' ' ILE . 8.9 mtpm? -63.62 -36.61 84.37 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.57 177.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.74 -19.7 65.81 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.222 -1.353 . . . . 0.0 112.717 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.3 mp -77.44 4.72 10.32 Favored 'General case' 0 CA--C 1.561 1.379 0 O-C-N 124.137 0.898 . . . . 0.0 111.689 175.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.18 22.42 9.92 Favored Glycine 0 C--N 1.359 1.827 0 O-C-N 123.772 0.67 . . . . 0.0 112.749 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.558 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.1 m-30 -106.63 -145.3 0.39 Allowed 'General case' 0 C--N 1.358 0.954 0 O-C-N 124.983 1.049 . . . . 0.0 108.719 -173.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 19' ' ' VAL . 5.4 tp10 -162.47 141.06 8.89 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -175.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -46.01 -25.96 0.65 Allowed 'General case' 0 CA--C 1.556 1.193 0 O-C-N 125.3 1.625 . . . . 0.0 114.539 -175.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.15 -51.72 8.64 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.849 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.73 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -67.54 -18.01 64.87 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 118.695 -1.202 . . . . 0.0 110.878 178.794 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.793 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.5 t -78.98 -58.44 4.01 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 C-N-CA 126.824 2.05 . . . . 0.0 110.498 -177.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.787 HD11 HD11 ' A' ' 6' ' ' ILE . 7.2 mm -60.07 -48.47 87.8 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 O-C-N 125.49 1.744 . . . . 0.0 110.552 -179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -25.6 65.87 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 125.824 1.953 . . . . 0.0 111.769 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -82.58 -19.28 38.79 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.559 1.162 . . . . 0.0 112.474 176.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.71 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -96.35 -22.56 17.11 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 124.908 1.38 . . . . 0.0 109.034 -179.299 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.3 -36.24 12.06 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 123.82 0.7 . . . . 0.0 109.537 -177.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.2 -26.69 64.0 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 124.855 1.347 . . . . 0.0 110.808 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -84.45 5.31 27.85 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 124.895 1.372 . . . . 0.0 112.657 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 56.32 60.02 3.37 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.871 0.843 . . . . 0.0 111.503 -175.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HZ3' ' CB ' ' A' ' 2' ' ' GLU . 1.4 mmmp? 27.49 54.79 0.07 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 127.837 2.455 . . . . 0.0 113.176 174.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.59 -27.21 14.12 Favored 'General case' 0 C--N 1.36 1.054 0 CA-C-N 113.49 -1.686 . . . . 0.0 111.752 -168.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 91.28 -65.52 0.01 OUTLIER 'General case' 0 C--N 1.351 0.66 0 O-C-N 125.893 1.996 . . . . 0.0 111.513 171.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.9 -23.33 66.61 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.621 -1.627 . . . . 0.0 111.114 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.97 -34.83 17.94 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.977 1.423 . . . . 0.0 109.172 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.758 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -63.28 -44.5 94.9 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 113.492 -1.685 . . . . 0.0 111.608 -177.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.43 -48.02 75.07 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 125.091 1.494 . . . . 0.0 109.658 174.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -57.28 -33.9 68.12 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.903 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -60.22 -56.15 25.09 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.572 1.17 . . . . 0.0 109.92 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.793 HD21 ' HA ' ' A' ' 19' ' ' VAL . 1.4 mp -70.27 -31.33 68.64 Favored 'General case' 0 CA--C 1.552 1.039 0 O-C-N 124.644 1.215 . . . . 0.0 112.161 -169.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.558 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.19 -24.56 34.88 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 124.995 1.434 . . . . 0.0 110.006 -176.058 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 t -68.9 -24.96 64.37 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.407 -1.724 . . . . 0.0 111.825 176.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -83.81 78.09 9.77 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.826 1.329 . . . . 0.0 109.052 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.65 132.38 48.8 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 112.731 -2.031 . . . . 0.0 109.66 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -176.78 130.04 0.19 Allowed 'General case' 0 C--N 1.347 0.463 0 CA-C-N 113.121 -1.854 . . . . 0.0 108.324 -172.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 t70 75.51 -3.39 2.59 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 112.651 -2.068 . . . . 0.0 112.676 175.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 50.73 49.11 21.61 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.947 1.299 . . . . 0.0 112.123 -178.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.355 0.808 0 CA-C-N 113.614 -1.63 . . . . 0.0 110.15 -173.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 . . . . . 0 CA--C 1.54 0.558 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -123.73 11.91 9.14 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 124.98 1.425 . . . . 0.0 111.064 -177.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.498 ' HA ' HG12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -60.17 -19.82 55.74 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 125.123 1.514 . . . . 0.0 112.71 179.73 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.12 -38.9 92.14 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.714 -1.584 . . . . 0.0 111.718 174.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.411 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -75.76 -15.85 60.21 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 113.717 -1.583 . . . . 0.0 110.698 176.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.498 HG12 ' HA ' ' A' ' 3' ' ' LYS . 30.8 mm -75.84 -25.32 17.17 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 C-N-CA 118.192 -1.403 . . . . 0.0 112.174 -173.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 17.8 pt-20 -88.5 -14.3 38.16 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.526 1.141 . . . . 0.0 111.153 174.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.756 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.96 -53.24 5.21 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.747 1.279 . . . . 0.0 109.947 -177.005 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.729 HD11 ' CD1' ' A' ' 23' ' ' TYR . 11.9 mt -56.28 -48.0 77.5 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 126.477 2.361 . . . . 0.0 108.568 174.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -61.42 -36.58 80.74 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.681 -1.145 . . . . 0.0 113.203 174.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.1 -18.89 65.64 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 124.393 1.058 . . . . 0.0 112.802 -175.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.9 mp -77.21 4.65 10.02 Favored 'General case' 0 CA--C 1.559 1.291 0 O-C-N 124.253 0.97 . . . . 0.0 111.967 176.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.65 26.51 8.54 Favored Glycine 0 C--N 1.358 1.792 0 O-C-N 123.844 0.715 . . . . 0.0 112.673 176.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.4 m-30 -109.54 -146.08 0.4 Allowed 'General case' 0 C--N 1.358 0.951 0 O-C-N 125.112 1.125 . . . . 0.0 108.876 -173.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.7 tp10 -159.76 140.99 12.62 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -176.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -49.49 -19.68 0.6 Allowed 'General case' 0 CA--C 1.556 1.182 0 O-C-N 125.72 1.887 . . . . 0.0 114.197 -174.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.91 -53.9 5.77 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.728 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.16 -21.27 66.75 Favored 'General case' 0 C--N 1.36 1.041 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 178.477 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.684 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -73.55 -58.68 4.4 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 C-N-CA 127.969 2.508 . . . . 0.0 111.265 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.1 mm -56.84 -49.27 79.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 125.215 1.572 . . . . 0.0 110.189 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -66.87 -28.12 68.07 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 125.941 2.025 . . . . 0.0 112.402 177.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -80.41 -12.83 59.52 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.246 0.966 . . . . 0.0 113.222 176.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.729 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.4 t80 -105.48 -25.68 12.23 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 125.027 1.455 . . . . 0.0 109.487 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.62 -42.85 12.4 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.546 1.154 . . . . 0.0 109.418 -177.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.92 -26.16 63.08 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 113.702 -1.59 . . . . 0.0 110.974 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.404 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.3 m -82.3 5.38 20.32 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 113.769 -1.56 . . . . 0.0 112.596 174.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 54.95 63.7 2.04 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.624 0.726 . . . . 0.0 111.216 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.44 63.31 0.18 Allowed 'General case' 0 C--N 1.352 0.68 0 CA-C-N 112.94 -1.936 . . . . 0.0 113.17 175.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.4 -171.32 1.86 Allowed 'General case' 0 C--N 1.349 0.566 0 CA-C-N 112.698 -2.047 . . . . 0.0 107.69 -177.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -119.67 -73.3 0.65 Allowed 'General case' 0 C--N 1.349 0.563 0 O-C-N 124.328 1.018 . . . . 0.0 110.006 -174.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -62.24 -21.51 65.22 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.657 -1.61 . . . . 0.0 111.071 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -79.93 -43.92 21.27 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 125.16 1.538 . . . . 0.0 109.584 -177.309 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.793 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -61.28 -47.44 85.98 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 113.235 -1.802 . . . . 0.0 111.921 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.84 -48.78 77.26 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 125.035 1.459 . . . . 0.0 110.081 174.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.3 -32.96 67.18 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 118.397 -1.321 . . . . 0.0 112.614 178.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -66.02 -47.79 73.26 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 124.18 0.925 . . . . 0.0 110.736 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.793 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -79.87 -20.13 46.62 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.539 -170.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.591 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -92.8 -27.53 17.12 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 125.15 1.531 . . . . 0.0 109.42 -178.575 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 t -82.67 -40.58 20.48 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 113.119 -1.855 . . . . 0.0 111.48 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 38.04 92.94 0.01 OUTLIER 'General case' 0 C--N 1.357 0.92 0 O-C-N 125.826 1.954 . . . . 0.0 112.201 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.58 126.94 29.19 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.67 -175.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -178.88 67.9 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 O-C-N 125.553 1.783 . . . . 0.0 108.323 -175.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.62 32.38 0.02 OUTLIER 'General case' 0 C--N 1.351 0.672 0 CA-C-N 114.105 -1.407 . . . . 0.0 111.064 176.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 66.93 41.18 2.81 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 124.346 1.029 . . . . 0.0 111.229 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 . . . . . 0 CA--C 1.553 1.088 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.732 177.859 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 121.955 0.883 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.68 4.28 54.02 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 112.752 -2.022 . . . . 0.0 111.693 -177.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -56.58 -21.25 25.41 Favored 'General case' 0 C--N 1.361 1.083 0 O-C-N 125.09 1.494 . . . . 0.0 114.035 -175.709 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -44.34 93.91 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 113.249 -1.796 . . . . 0.0 111.837 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.417 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -75.98 -14.87 60.23 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 113.364 -1.744 . . . . 0.0 111.335 175.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.815 HD11 HD11 ' A' ' 20' ' ' ILE . 30.7 mt -76.59 -21.53 15.0 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 117.643 -1.623 . . . . 0.0 111.636 -174.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 15.5 pt-20 -89.36 -15.69 32.74 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.102 0.876 . . . . 0.0 110.747 174.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.756 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.65 -54.09 4.75 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.722 1.264 . . . . 0.0 109.502 -176.566 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.761 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.8 mt -54.91 -47.76 73.93 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 126.359 2.287 . . . . 0.0 108.649 173.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -64.3 -34.11 77.38 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 118.741 -1.184 . . . . 0.0 112.953 174.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -65.2 -19.19 65.86 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 124.175 0.922 . . . . 0.0 112.771 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.1 mp -77.22 4.95 9.33 Favored 'General case' 0 CA--C 1.558 1.28 0 O-C-N 124.216 0.948 . . . . 0.0 112.08 176.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.41 27.15 9.41 Favored Glycine 0 C--N 1.356 1.662 0 O-C-N 123.71 0.631 . . . . 0.0 112.385 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.7 m-30 -108.12 -144.09 0.38 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -173.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 19' ' ' VAL . 21.3 tt0 -161.5 140.49 9.89 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -176.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -50.49 -20.12 1.06 Allowed 'General case' 0 CA--C 1.552 1.049 0 O-C-N 125.804 1.94 . . . . 0.0 113.806 -172.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -80.83 -56.21 4.28 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.592 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.806 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -62.59 -20.31 64.59 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 118.576 -1.25 . . . . 0.0 111.813 178.796 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.667 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -73.61 -61.39 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.5 0 O-C-N 126.158 2.161 . . . . 0.0 110.932 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.815 HD11 HD11 ' A' ' 6' ' ' ILE . 6.3 mm -56.32 -49.52 76.27 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 O-C-N 125.292 1.62 . . . . 0.0 110.108 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -65.75 -26.45 67.73 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 126.058 2.099 . . . . 0.0 112.061 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -84.37 -11.66 55.9 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.108 0.88 . . . . 0.0 113.17 175.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.761 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -106.4 -16.6 14.51 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 124.583 1.177 . . . . 0.0 109.336 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.55 -41.06 7.12 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 124.282 0.989 . . . . 0.0 109.105 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.33 -25.62 62.48 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.712 1.257 . . . . 0.0 110.942 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -84.03 4.75 28.6 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 114.058 -1.428 . . . . 0.0 112.506 174.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 55.78 60.53 3.23 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 124.239 0.962 . . . . 0.0 110.722 -176.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.47 53.19 0.05 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.561 1.544 . . . . 0.0 113.886 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.81 -25.56 16.58 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.485 -1.688 . . . . 0.0 111.411 -171.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 87.91 -67.75 0.02 OUTLIER 'General case' 0 C--N 1.354 0.789 0 O-C-N 126.086 2.116 . . . . 0.0 110.728 173.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -22.8 66.9 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 113.742 -1.572 . . . . 0.0 111.106 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.77 -31.23 18.48 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 125.04 1.462 . . . . 0.0 109.296 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.837 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -64.71 -44.12 91.26 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 113.623 -1.626 . . . . 0.0 111.88 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.25 76.86 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 125.01 1.444 . . . . 0.0 109.531 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -56.2 -37.18 69.28 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 118.762 -1.175 . . . . 0.0 112.67 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -60.61 -50.08 74.94 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 121.707 0.765 . . . . 0.0 111.144 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -73.4 -29.38 62.56 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.76 -1.564 . . . . 0.0 111.713 -170.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.612 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -88.49 -23.85 23.12 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 125.142 1.526 . . . . 0.0 109.799 -175.594 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m -75.26 -32.35 61.04 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 113.453 -1.703 . . . . 0.0 111.171 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -108.92 104.68 13.97 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 125.173 1.546 . . . . 0.0 107.778 -175.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.4 131.43 35.6 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 113.977 -1.465 . . . . 0.0 108.576 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -174.94 89.05 0.05 OUTLIER 'General case' 0 C--N 1.352 0.68 0 O-C-N 125.137 1.523 . . . . 0.0 108.411 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -154.84 -59.72 0.11 Allowed 'General case' 0 C--N 1.352 0.679 0 C-N-CA 118.921 -1.111 . . . . 0.0 110.145 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 p30 44.54 34.28 1.08 Allowed 'General case' 0 C--N 1.364 1.221 0 O-C-N 125.49 1.744 . . . . 0.0 113.825 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.893 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.652 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.222 -0.354 0 CA-C-O 121.369 0.604 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -117.09 -7.78 11.27 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 113.357 -1.747 . . . . 0.0 112.073 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.494 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -56.69 -18.28 11.79 Favored 'General case' 0 C--N 1.357 0.926 0 O-C-N 125.584 1.802 . . . . 0.0 113.907 176.658 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.3 -42.17 75.8 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 124.753 1.283 . . . . 0.0 111.915 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.424 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -76.28 -16.49 59.78 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 112.981 -1.918 . . . . 0.0 110.187 176.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.765 ' CD1' HD11 ' A' ' 20' ' ' ILE . 34.1 mt -71.8 -43.46 69.41 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.786 -173.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -69.25 -17.15 63.73 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.947 0.78 . . . . 0.0 112.537 176.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.74 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.86 -56.79 3.75 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.583 1.177 . . . . 0.0 110.165 179.434 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.73 HD11 ' CD1' ' A' ' 23' ' ' TYR . 8.9 mt -49.48 -50.38 41.63 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 126.931 2.092 . . . . 0.0 109.393 174.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.681 ' HD2' HG22 ' A' ' 6' ' ' ILE . 53.9 mtpt -63.88 -35.82 81.92 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.599 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.54 -19.62 65.82 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.69 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.0 mp -77.4 4.87 9.89 Favored 'General case' 0 CA--C 1.56 1.337 0 O-C-N 124.081 0.863 . . . . 0.0 111.803 175.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.68 23.27 9.51 Favored Glycine 0 C--N 1.358 1.765 0 O-C-N 123.807 0.692 . . . . 0.0 112.706 176.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.618 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.5 m-30 -107.11 -146.02 0.39 Allowed 'General case' 0 C--N 1.357 0.914 0 O-C-N 125.118 1.128 . . . . 0.0 108.608 -173.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.6 tp10 -161.23 140.55 10.3 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -176.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -44.16 -26.51 0.31 Allowed 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.239 1.816 . . . . 0.0 114.782 -176.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.48 -50.7 8.56 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.732 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.729 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -67.08 -19.24 65.62 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 118.787 -1.165 . . . . 0.0 110.626 177.443 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.829 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -77.67 -58.35 4.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 C-N-CA 126.979 2.112 . . . . 0.0 110.547 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.765 HD11 ' CD1' ' A' ' 6' ' ' ILE . 6.9 mm -59.39 -46.82 92.32 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.534 0 O-C-N 125.567 1.792 . . . . 0.0 110.841 -178.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -68.7 -30.06 68.63 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 125.652 1.845 . . . . 0.0 111.577 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -77.83 -17.85 56.96 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 124.482 1.114 . . . . 0.0 112.608 176.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.73 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -96.82 -28.41 14.26 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 125.219 1.575 . . . . 0.0 108.72 -178.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.93 -38.72 15.34 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 124.036 0.835 . . . . 0.0 110.143 -175.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.47 -26.4 64.55 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 113.655 -1.612 . . . . 0.0 110.57 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -83.47 4.12 29.19 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 114.085 -1.416 . . . . 0.0 113.035 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 60.39 59.47 2.26 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 122.534 1.159 . . . . 0.0 110.827 -175.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt 32.7 56.1 0.41 Allowed 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 112.604 -2.089 . . . . 0.0 113.393 174.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.28 -156.09 0.55 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 113.79 -1.55 . . . . 0.0 107.931 -172.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -128.33 -79.45 0.57 Allowed 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.538 0.524 . . . . 0.0 109.968 -176.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -62.96 -20.32 65.13 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 113.96 -1.473 . . . . 0.0 111.223 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 32' ' ' LEU . 6.2 tp -79.44 -45.49 19.32 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 125.282 1.613 . . . . 0.0 110.092 -177.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.738 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -59.21 -50.96 72.04 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 112.601 -2.091 . . . . 0.0 111.383 176.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.8 -49.69 67.77 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 125.203 1.564 . . . . 0.0 110.169 175.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -54.85 -34.23 62.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 119.188 -1.005 . . . . 0.0 113.307 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -58.89 -57.99 10.62 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 124.698 1.249 . . . . 0.0 109.821 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.829 HD21 ' HA ' ' A' ' 19' ' ' VAL . 2.0 mp -69.16 -31.36 69.95 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.895 1.372 . . . . 0.0 112.437 -169.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.618 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -79.09 -25.63 43.02 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 113.975 -1.466 . . . . 0.0 110.198 -175.215 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.4 t -74.14 -16.62 61.0 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 112.959 -1.928 . . . . 0.0 112.366 177.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -81.12 100.29 8.97 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.516 1.135 . . . . 0.0 108.153 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -71.01 127.63 33.22 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.226 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 179.98 154.65 0.56 Allowed 'General case' 0 C--N 1.35 0.627 0 O-C-N 125.064 1.477 . . . . 0.0 108.666 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.0 t0 65.61 84.97 0.15 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 112.484 -2.144 . . . . 0.0 110.175 174.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -102.71 66.01 0.93 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-N 113.095 -1.866 . . . . 0.0 108.645 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 . . . . . 0 CA--C 1.554 1.111 0 CA-C-N 113.122 -1.854 . . . . 0.0 112.152 174.258 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 121.777 0.799 . . . . 0.0 109.937 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.404 ' CG ' ' HE2' ' A' ' 28' ' ' LYS . 10.5 mm-40 79.12 -3.12 2.19 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 111.814 -2.448 . . . . 0.0 113.973 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.6 -26.37 0.12 Allowed 'General case' 0 C--N 1.361 1.101 0 C-N-CA 125.725 1.61 . . . . 0.0 115.074 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -51.61 67.56 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 125.08 1.488 . . . . 0.0 112.209 176.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.43 -19.37 60.98 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.194 -1.821 . . . . 0.0 110.326 175.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.583 ' CD1' HD11 ' A' ' 20' ' ' ILE . 18.8 mt -67.84 -41.85 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 118.777 -1.169 . . . . 0.0 112.137 -175.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -71.34 -17.75 62.42 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.999 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.758 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.45 -55.84 4.43 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 124.82 1.325 . . . . 0.0 110.124 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.751 HD11 ' CD1' ' A' ' 23' ' ' TYR . 12.0 mt -48.23 -50.23 30.23 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.407 2.283 . . . . 0.0 108.985 174.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.494 ' HG3' HG21 ' A' ' 19' ' ' VAL . 31.7 mtpt -65.9 -35.79 81.6 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.763 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.5 -19.32 65.76 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 114.501 -1.227 . . . . 0.0 112.878 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.8 mp -75.92 3.3 10.44 Favored 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.144 0.902 . . . . 0.0 111.771 175.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.97 24.18 8.73 Favored Glycine 0 C--N 1.36 1.863 0 O-C-N 123.82 0.7 . . . . 0.0 112.565 176.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.555 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.5 m-30 -109.21 -145.91 0.4 Allowed 'General case' 0 C--N 1.357 0.919 0 O-C-N 125.244 1.203 . . . . 0.0 108.408 -173.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 19' ' ' VAL . 38.6 tt0 -163.46 140.8 7.42 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 124.255 0.972 . . . . 0.0 108.579 -174.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -39.4 -30.03 0.06 Allowed 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 127.73 2.412 . . . . 0.0 114.853 -176.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -51.58 8.43 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.236 -178.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.784 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.33 -22.3 66.27 Favored 'General case' 0 C--N 1.358 0.96 0 O-C-N 124.488 1.118 . . . . 0.0 110.719 178.346 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.71 ' HA ' HD21 ' A' ' 37' ' ' LEU . 4.0 t -73.93 -56.55 8.93 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 C-N-CA 127.34 2.256 . . . . 0.0 111.062 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.583 HD11 ' CD1' ' A' ' 6' ' ' ILE . 5.2 mm -59.67 -46.74 93.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 125.578 1.798 . . . . 0.0 110.647 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -70.12 -29.2 66.08 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 125.755 1.91 . . . . 0.0 111.096 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -78.85 -13.15 59.96 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.279 0.987 . . . . 0.0 113.264 175.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.751 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.6 t80 -102.13 -28.87 12.07 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 124.864 1.353 . . . . 0.0 108.92 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.43 -40.29 14.5 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 124.16 0.913 . . . . 0.0 109.937 -174.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.5 -26.35 63.56 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 113.68 -1.6 . . . . 0.0 110.78 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 36' ' ' PHE . 1.3 m -81.87 4.21 23.23 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.773 -1.558 . . . . 0.0 112.915 174.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 58.29 60.93 2.45 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 122.388 1.09 . . . . 0.0 111.087 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HE2' ' CG ' ' A' ' 2' ' ' GLU . 1.3 mmmm 30.37 57.21 0.2 Allowed 'General case' 0 C--N 1.354 0.784 0 C-N-CA 128.174 2.59 . . . . 0.0 113.028 174.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -104.95 -149.15 0.41 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.466 -1.697 . . . . 0.0 107.979 -171.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -135.46 -77.14 0.44 Allowed 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.384 0.612 . . . . 0.0 109.991 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -21.3 65.12 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.544 -1.662 . . . . 0.0 111.335 177.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -80.26 -43.63 21.03 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 125.047 1.467 . . . . 0.0 110.22 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.726 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -61.28 -48.01 83.37 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 112.662 -2.063 . . . . 0.0 111.753 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.38 -47.58 81.3 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 125.324 1.64 . . . . 0.0 109.617 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -57.72 -33.75 68.75 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 118.754 -1.178 . . . . 0.0 112.609 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.45 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 8.0 t80 -60.31 -56.27 23.47 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.398 1.061 . . . . 0.0 109.917 176.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.784 HD23 HD12 ' A' ' 18' ' ' LEU . 1.1 mp -69.0 -29.54 67.76 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.917 1.385 . . . . 0.0 112.587 -170.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.579 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -86.69 -25.26 24.88 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.657 -175.403 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.9 t -79.54 -22.81 43.41 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-N 112.952 -1.931 . . . . 0.0 112.132 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -51.52 99.58 0.02 OUTLIER 'General case' 0 C--N 1.354 0.768 0 O-C-N 124.833 1.333 . . . . 0.0 110.974 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -68.33 131.0 44.57 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 112.576 -2.102 . . . . 0.0 108.991 -175.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -175.74 92.55 0.05 Allowed 'General case' 0 C--N 1.352 0.703 0 CA-C-N 113.951 -1.477 . . . . 0.0 108.963 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -178.54 134.43 0.14 Allowed 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.661 1.225 . . . . 0.0 109.098 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.97 92.91 0.07 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.428 -1.26 . . . . 0.0 108.902 177.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? . . . . . 0 C--N 1.354 0.767 0 CA-C-N 113.6 -1.636 . . . . 0.0 110.826 177.801 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 CA--C 1.543 0.674 0 CA-C-O 121.267 0.556 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.418 ' HG2' ' CE ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -174.02 29.81 0.01 OUTLIER 'General case' 0 C--N 1.354 0.785 0 CA-C-N 114.144 -1.389 . . . . 0.0 111.155 -178.223 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HA ' HG12 ' A' ' 6' ' ' ILE . 10.2 ptmm? -61.2 -20.84 63.25 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 124.608 1.193 . . . . 0.0 113.656 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -35.78 78.42 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 113.996 -1.456 . . . . 0.0 111.377 177.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.415 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -75.31 -15.74 60.47 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 112.942 -1.935 . . . . 0.0 110.845 175.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' A' ' 3' ' ' LYS . 23.5 mm -72.92 -27.93 25.81 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 C-N-CA 118.545 -1.262 . . . . 0.0 112.01 -176.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.98 -14.97 45.84 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.932 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.782 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -86.3 -54.69 4.29 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 125.016 1.447 . . . . 0.0 110.121 -177.653 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.754 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.7 mt -52.76 -50.17 64.05 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 126.134 2.146 . . . . 0.0 109.324 174.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.1 mtmt -63.5 -34.18 77.22 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 176.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.16 -19.68 65.91 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 124.688 1.243 . . . . 0.0 112.719 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.8 mp -77.23 4.96 9.34 Favored 'General case' 0 CA--C 1.557 1.25 0 O-C-N 124.161 0.913 . . . . 0.0 111.97 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.95 13.94 24.11 Favored Glycine 0 C--N 1.359 1.844 0 O-C-N 124.039 0.837 . . . . 0.0 112.836 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 6.0 m-30 -99.46 -147.48 0.34 Allowed 'General case' 0 C--N 1.353 0.723 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -171.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 19' ' ' VAL . 9.1 tp10 -160.01 140.32 11.77 Favored 'General case' 0 C--N 1.347 0.473 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -176.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -43.38 -25.37 0.14 Allowed 'General case' 0 CA--C 1.555 1.147 0 O-C-N 125.962 2.039 . . . . 0.0 114.492 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.84 -53.15 6.73 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.04 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.725 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -67.22 -19.16 65.5 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 124.564 1.165 . . . . 0.0 111.492 178.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.719 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -77.6 -56.86 6.71 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 C-N-CA 128.277 2.631 . . . . 0.0 110.613 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.3 mm -58.01 -51.85 65.64 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 O-C-N 125.071 1.482 . . . . 0.0 109.806 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.24 -25.55 66.95 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 125.852 1.97 . . . . 0.0 112.415 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -80.93 -17.16 51.46 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 176.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.754 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -101.69 -22.27 14.47 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 124.929 1.393 . . . . 0.0 109.421 -178.5 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -93.24 -38.25 11.63 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 123.87 0.731 . . . . 0.0 109.899 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.49 -26.48 63.63 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 124.913 1.383 . . . . 0.0 111.031 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -82.97 4.3 26.46 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.435 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 56.77 59.0 3.73 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 122.015 0.912 . . . . 0.0 111.696 -175.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' CE ' ' HG2' ' A' ' 2' ' ' GLU . 1.3 mmmm 30.86 51.21 0.11 Allowed 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 112.593 -2.094 . . . . 0.0 113.445 173.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.59 -26.69 15.67 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 113.302 -1.772 . . . . 0.0 111.334 -169.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 89.83 -67.7 0.01 OUTLIER 'General case' 0 C--N 1.353 0.735 0 O-C-N 125.569 1.793 . . . . 0.0 111.696 173.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -22.93 67.09 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.035 -1.893 . . . . 0.0 110.987 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -33.57 18.43 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 125.03 1.456 . . . . 0.0 109.434 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.848 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -64.43 -43.59 93.85 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 113.602 -1.635 . . . . 0.0 111.627 -178.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.93 -47.29 80.98 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 113.965 -1.47 . . . . 0.0 109.83 173.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -56.99 -35.23 68.95 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 118.637 -1.225 . . . . 0.0 112.834 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -62.0 -51.83 66.47 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 124.044 0.84 . . . . 0.0 110.871 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.848 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -72.66 -29.07 63.12 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 113.496 -1.684 . . . . 0.0 111.937 -170.411 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -87.88 -25.54 23.21 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.112 -1.404 . . . . 0.0 110.496 -175.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.8 t -78.49 -15.37 58.69 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 113.076 -1.874 . . . . 0.0 111.164 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -75.37 -169.19 0.94 Allowed 'General case' 0 C--N 1.358 0.941 0 O-C-N 124.845 1.34 . . . . 0.0 109.916 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -108.49 124.47 50.48 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 113.516 -1.675 . . . . 0.0 107.51 -176.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.4 t80 174.05 158.63 0.15 Allowed 'General case' 0 CA--C 1.546 0.81 0 O-C-N 125.647 1.842 . . . . 0.0 108.349 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -90.36 77.92 6.52 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.73 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -83.5 6.04 21.82 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 114.585 -1.189 . . . . 0.0 112.857 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--N 1.356 0.886 0 O-C-N 125.013 1.446 . . . . 0.0 108.26 -175.275 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 . . . . . 0 C--O 1.223 -0.33 0 CA-C-O 121.885 0.85 . . . . 0.0 108.852 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 84.2 -12.69 0.77 Allowed 'General case' 0 C--N 1.349 0.553 0 CA-C-N 112.442 -2.163 . . . . 0.0 113.288 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -20.61 3.29 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 125.537 1.773 . . . . 0.0 114.245 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -45.58 78.16 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 113.796 -1.547 . . . . 0.0 111.034 -178.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.16 -20.03 57.93 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 112.458 -2.156 . . . . 0.0 110.331 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.711 HG23 HG11 ' A' ' 19' ' ' VAL . 34.8 mt -67.8 -41.93 85.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 118.415 -1.314 . . . . 0.0 111.087 -174.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.96 -17.67 62.65 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 119.865 -0.734 . . . . 0.0 112.868 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.734 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.96 -55.66 4.45 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.606 1.191 . . . . 0.0 110.053 -178.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.762 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.1 mt -50.0 -49.66 49.91 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.376 2.27 . . . . 0.0 109.107 174.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.571 ' HG3' HG21 ' A' ' 19' ' ' VAL . 53.0 mtpt -64.42 -35.2 80.14 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.742 177.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.77 -19.23 65.71 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.809 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.1 mp -77.89 5.11 10.33 Favored 'General case' 0 CA--C 1.562 1.408 0 O-C-N 124.143 0.902 . . . . 0.0 111.83 175.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.17 24.99 8.57 Favored Glycine 0 C--N 1.359 1.858 0 O-C-N 123.646 0.591 . . . . 0.0 112.868 175.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.558 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.0 m-30 -109.46 -145.98 0.4 Allowed 'General case' 0 C--N 1.357 0.904 0 O-C-N 125.019 1.07 . . . . 0.0 108.584 -173.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 19' ' ' VAL . 5.8 tt0 -162.61 141.21 8.76 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 124.209 0.943 . . . . 0.0 108.872 -175.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -45.49 -25.78 0.48 Allowed 'General case' 0 CA--C 1.555 1.152 0 O-C-N 125.687 1.867 . . . . 0.0 114.619 -172.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -78.68 -53.52 7.06 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.917 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.735 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.84 -21.89 66.01 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 124.413 1.071 . . . . 0.0 111.443 -179.597 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.813 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -72.12 -57.92 6.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 C-N-CA 127.828 2.451 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.1 mt -56.61 -51.68 62.93 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 O-C-N 125.381 1.676 . . . . 0.0 110.288 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -65.4 -25.76 67.69 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 125.529 1.768 . . . . 0.0 112.312 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -81.47 -15.5 54.83 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 124.418 1.074 . . . . 0.0 112.517 177.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.762 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.5 t80 -103.21 -29.01 11.56 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 125.001 1.438 . . . . 0.0 109.5 -178.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.91 -42.57 12.41 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 124.799 1.312 . . . . 0.0 109.526 -172.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.88 -25.85 62.98 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 113.392 -1.731 . . . . 0.0 110.535 175.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.427 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -78.15 -0.93 30.22 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 113.569 -1.651 . . . . 0.0 113.26 174.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 63.12 61.06 1.12 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-O 122.051 0.929 . . . . 0.0 110.817 -176.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.04 42.67 0.71 Allowed 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 112.903 -1.953 . . . . 0.0 113.504 174.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.437 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 1.4 t-20 -92.35 -151.99 0.3 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 113.107 -1.86 . . . . 0.0 107.818 -172.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -142.86 -70.78 0.32 Allowed 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 118.888 0.767 . . . . 0.0 109.254 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -23.67 67.51 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 113.088 -1.869 . . . . 0.0 110.927 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.4 -43.26 33.25 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 125.154 1.533 . . . . 0.0 108.942 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.76 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -63.43 -45.35 91.32 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 113.025 -1.898 . . . . 0.0 111.656 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.42 72.48 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 125.496 1.747 . . . . 0.0 109.474 172.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -35.61 65.77 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 118.869 -1.133 . . . . 0.0 112.518 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.91 -53.83 48.05 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 123.995 0.809 . . . . 0.0 109.958 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.813 HD21 ' HA ' ' A' ' 19' ' ' VAL . 1.2 mp -75.6 -14.24 60.37 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 114.031 -1.44 . . . . 0.0 112.563 -171.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.558 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -95.13 -25.79 16.28 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 124.186 0.929 . . . . 0.0 108.572 178.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -104.47 22.65 14.56 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 112.772 -2.013 . . . . 0.0 111.96 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -36.64 102.23 0.02 OUTLIER 'General case' 0 C--N 1.364 1.201 0 O-C-N 125.132 1.52 . . . . 0.0 111.692 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -60.39 131.66 51.46 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 112.947 -1.933 . . . . 0.0 109.966 -173.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -169.81 60.27 0.04 OUTLIER 'General case' 0 C--N 1.35 0.615 0 CA-C-N 113.078 -1.874 . . . . 0.0 108.296 -172.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -164.06 -160.94 0.58 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.263 177.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.59 49.87 0.98 Allowed 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.403 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 . . . . . 0 C--N 1.354 0.802 0 CA-C-N 113.94 -1.482 . . . . 0.0 110.876 176.921 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 121.461 0.648 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -123.12 -2.19 8.66 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 113.26 -1.791 . . . . 0.0 111.951 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.75 -23.84 3.0 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 125.146 1.529 . . . . 0.0 114.152 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.88 -49.83 73.27 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 124.866 1.354 . . . . 0.0 111.824 175.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.421 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -71.63 -17.97 62.23 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.566 177.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.559 HG23 HG11 ' A' ' 19' ' ' VAL . 34.7 mt -65.47 -45.56 92.5 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 C-N-CA 119.511 -0.875 . . . . 0.0 111.71 -175.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.7 -18.64 63.55 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 124.807 1.317 . . . . 0.0 111.903 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.797 ' O ' HD12 ' A' ' 12' ' ' LEU . 1.1 ttm180 -79.98 -53.34 6.82 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 125.103 1.502 . . . . 0.0 110.226 -177.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.7 mt -52.6 -45.19 66.44 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 126.465 2.353 . . . . 0.0 108.411 173.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -34.97 78.12 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.802 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.29 -18.04 65.03 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 124.881 1.363 . . . . 0.0 112.78 -178.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.3 mp -77.06 4.07 10.99 Favored 'General case' 0 CA--C 1.559 1.314 0 O-C-N 124.262 0.976 . . . . 0.0 111.879 175.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.38 25.14 8.96 Favored Glycine 0 C--N 1.358 1.803 0 O-C-N 124.03 0.831 . . . . 0.0 112.946 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.601 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.4 m-30 -108.58 -143.14 0.38 Allowed 'General case' 0 C--N 1.358 0.978 0 O-C-N 125.067 1.098 . . . . 0.0 109.291 -172.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.4 tt0 -158.32 136.61 10.86 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 124.18 0.925 . . . . 0.0 108.658 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -43.78 -25.25 0.17 Allowed 'General case' 0 CA--C 1.557 1.225 0 O-C-N 125.704 1.877 . . . . 0.0 114.034 -176.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.0 m -79.13 -52.77 7.74 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.796 0.685 . . . . 0.0 111.664 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.722 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.57 -20.11 65.94 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 118.775 -1.17 . . . . 0.0 110.886 176.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.76 ' HA ' HD21 ' A' ' 37' ' ' LEU . 4.4 t -73.51 -54.49 15.26 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 C-N-CA 126.785 2.034 . . . . 0.0 110.481 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.5 mt -60.42 -54.2 38.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 O-C-N 125.619 1.825 . . . . 0.0 109.679 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -17.87 61.76 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 125.23 1.581 . . . . 0.0 112.836 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -91.5 -15.65 28.44 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 124.426 1.079 . . . . 0.0 113.126 176.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.808 ' CD1' HD11 ' A' ' 9' ' ' LEU . 2.1 t80 -111.09 -6.54 14.6 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 125.268 1.605 . . . . 0.0 110.404 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.24 -41.56 5.3 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.52 -27.36 63.14 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 113.077 -1.874 . . . . 0.0 110.867 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.47 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.4 m -82.6 4.36 25.03 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.532 -1.667 . . . . 0.0 112.428 174.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 56.53 60.9 2.88 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 121.482 0.658 . . . . 0.0 111.418 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.36 57.88 0.66 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 113.321 -1.763 . . . . 0.0 113.045 173.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.46 -160.26 0.77 Allowed 'General case' 0 C--N 1.352 0.693 0 CA-C-N 113.039 -1.891 . . . . 0.0 107.978 -176.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -125.37 -76.36 0.59 Allowed 'General case' 0 C--O 1.219 -0.522 0 O-C-N 123.83 0.706 . . . . 0.0 110.225 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.77 -22.22 63.85 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 113.109 -1.859 . . . . 0.0 111.152 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.47 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.54 -45.86 24.13 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 125.363 1.664 . . . . 0.0 109.618 -177.625 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.803 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -65.65 -44.56 85.96 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 113.351 -1.749 . . . . 0.0 111.499 -176.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.13 78.01 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 125.317 1.636 . . . . 0.0 110.025 173.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.99 -33.78 69.28 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 117.967 -1.493 . . . . 0.0 112.721 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.08 -51.62 65.91 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.803 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -73.16 -29.63 63.0 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 113.661 -1.609 . . . . 0.0 112.049 -170.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.601 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -85.22 -25.65 27.2 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.055 -175.768 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.1 t -76.36 -28.23 56.72 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 113.249 -1.796 . . . . 0.0 111.63 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -84.61 73.85 10.5 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 125.345 1.653 . . . . 0.0 109.605 176.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -45.06 127.13 6.48 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 113.392 -1.731 . . . . 0.0 111.827 173.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -177.12 146.74 0.52 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-N 112.279 -2.237 . . . . 0.0 109.065 -173.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -109.43 145.37 36.27 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 113.402 -1.726 . . . . 0.0 108.646 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.56 -54.22 5.06 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 124.8 1.313 . . . . 0.0 112.88 -178.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.355 0.834 0 O-C-N 125.333 1.646 . . . . 0.0 110.342 177.889 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 122.302 1.048 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 -101.55 9.14 41.54 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 113.11 -1.859 . . . . 0.0 111.136 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 6' ' ' ILE . 6.1 mttm -66.67 -18.51 65.41 Favored 'General case' 0 C--N 1.361 1.072 0 O-C-N 124.71 1.256 . . . . 0.0 113.034 -173.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.2 -42.09 89.3 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 113.299 -1.773 . . . . 0.0 111.419 177.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.405 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -74.25 -17.96 60.8 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 113.324 -1.762 . . . . 0.0 110.656 175.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.829 HD11 HD11 ' A' ' 20' ' ' ILE . 71.7 mt -67.18 -48.74 77.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 C-N-CA 118.081 -1.448 . . . . 0.0 111.456 -172.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.63 -15.47 63.2 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 125.164 1.54 . . . . 0.0 112.056 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.752 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.57 -54.08 6.24 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.797 1.31 . . . . 0.0 110.599 178.671 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.696 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.3 mt -55.94 -44.8 78.73 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 126.272 2.232 . . . . 0.0 108.385 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -34.73 78.97 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.579 -1.191 . . . . 0.0 112.618 176.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.2 -18.57 65.31 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 114.563 -1.199 . . . . 0.0 112.72 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.8 mp -78.27 4.85 11.71 Favored 'General case' 0 CA--C 1.559 1.299 0 O-C-N 124.15 0.906 . . . . 0.0 111.771 175.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.19 24.24 9.81 Favored Glycine 0 C--N 1.36 1.881 0 O-C-N 123.782 0.677 . . . . 0.0 113.218 176.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.599 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.6 m-30 -106.09 -142.79 0.37 Allowed 'General case' 0 C--N 1.359 1.017 0 O-C-N 124.786 0.933 . . . . 0.0 109.424 -172.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 19' ' ' VAL . 6.9 tp10 -157.18 136.89 12.3 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -47.18 -21.82 0.3 Allowed 'General case' 0 CA--C 1.557 1.23 0 O-C-N 125.376 1.672 . . . . 0.0 114.384 -176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -52.02 7.94 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 123.48 0.488 . . . . 0.0 111.363 177.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.707 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -67.59 -19.68 65.27 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 124.283 0.989 . . . . 0.0 111.335 177.777 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.719 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.4 t -72.55 -58.34 5.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 O-C-N 125.916 2.01 . . . . 0.0 110.057 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.829 HD11 HD11 ' A' ' 6' ' ' ILE . 5.1 mm -57.6 -50.02 78.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 O-C-N 125.127 1.517 . . . . 0.0 111.485 -178.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -67.26 -28.46 68.05 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 125.513 1.758 . . . . 0.0 111.928 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -79.52 -16.45 55.98 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.406 1.066 . . . . 0.0 112.653 175.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.696 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -98.99 -26.33 14.28 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 125.077 1.486 . . . . 0.0 109.376 -178.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.41 -38.94 12.96 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 124.124 0.89 . . . . 0.0 109.976 -175.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.52 64.53 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.741 176.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.547 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.2 m -83.15 4.65 25.68 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 113.965 -1.471 . . . . 0.0 112.995 175.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 57.36 59.24 3.42 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 122.375 1.083 . . . . 0.0 111.425 -175.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm 34.18 56.2 0.63 Allowed 'General case' 0 C--N 1.35 0.615 0 CA-C-N 112.124 -2.307 . . . . 0.0 112.676 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -103.03 -144.58 0.36 Allowed 'General case' 0 C--N 1.356 0.851 0 CA-C-N 112.841 -1.981 . . . . 0.0 107.527 -173.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -143.05 -74.73 0.27 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-O 121.436 0.636 . . . . 0.0 109.433 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -22.63 66.21 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.589 -1.642 . . . . 0.0 111.165 177.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -78.4 -46.31 20.2 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 125.072 1.482 . . . . 0.0 109.55 -178.259 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.794 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -59.76 -47.93 83.7 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.962 -1.926 . . . . 0.0 111.854 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.82 -47.91 79.21 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 124.953 1.408 . . . . 0.0 109.752 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.59 -36.79 69.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 117.747 -1.581 . . . . 0.0 112.896 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -60.12 -54.46 45.64 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 123.829 0.705 . . . . 0.0 110.47 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -70.8 -26.86 63.51 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 118.677 -1.209 . . . . 0.0 112.225 -169.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.599 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -87.37 -25.83 23.65 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.443 -176.2 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.4 m -75.95 -33.57 59.82 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.101 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.52 99.2 2.45 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 125.03 1.456 . . . . 0.0 108.984 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -59.1 133.36 56.03 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 112.103 -2.317 . . . . 0.0 109.62 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -178.2 130.38 0.13 Allowed 'General case' 0 C--N 1.35 0.629 0 O-C-N 125.752 1.907 . . . . 0.0 108.542 -172.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.7 t70 65.15 13.49 8.76 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 112.772 -2.013 . . . . 0.0 112.477 175.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 172.41 111.27 0.01 OUTLIER 'General case' 0 C--N 1.354 0.786 0 O-C-N 125.29 1.619 . . . . 0.0 107.291 -170.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.13 0 CA-C-N 113.575 -1.648 . . . . 0.0 111.473 178.224 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 . . . . . 0 C--O 1.22 -0.469 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -139.07 4.73 2.28 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 112.737 -2.029 . . . . 0.0 112.624 -173.485 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' A' ' 6' ' ' ILE . 8.8 pttt -56.54 -17.78 9.55 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 125.449 1.718 . . . . 0.0 113.892 176.692 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -39.75 74.4 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.786 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.97 -16.83 59.22 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.013 -1.903 . . . . 0.0 110.377 173.709 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.808 HD11 HD11 ' A' ' 20' ' ' ILE . 37.1 mt -75.3 -24.53 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 118.838 -1.145 . . . . 0.0 112.025 -172.535 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -88.66 -15.7 34.24 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.22 0.95 . . . . 0.0 110.505 175.584 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.733 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -84.39 -54.87 4.47 Favored 'General case' 0 C--N 1.356 0.861 0 O-C-N 124.626 1.204 . . . . 0.0 110.378 -179.868 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.728 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.6 mt -53.44 -49.19 67.88 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 126.348 2.28 . . . . 0.0 108.835 173.737 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -62.49 -34.85 77.67 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 119.01 -1.076 . . . . 0.0 113.15 174.395 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.9 -18.98 65.71 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 124.271 0.982 . . . . 0.0 112.877 -175.532 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.733 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.3 mp -77.61 4.4 11.44 Favored 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.162 0.914 . . . . 0.0 111.932 175.838 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.94 27.05 8.06 Favored Glycine 0 C--N 1.359 1.817 0 O-C-N 123.683 0.614 . . . . 0.0 112.8 175.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.605 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.2 m-30 -108.42 -145.78 0.4 Allowed 'General case' 0 C--N 1.358 0.938 0 O-C-N 125.095 1.115 . . . . 0.0 108.839 -173.338 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.524 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -158.51 140.89 14.22 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -176.419 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -51.76 -19.06 1.46 Allowed 'General case' 0 CA--C 1.56 1.347 0 O-C-N 125.187 1.554 . . . . 0.0 113.905 -174.183 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -82.11 -52.54 6.9 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 123.405 0.441 . . . . 0.0 110.91 177.408 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.712 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.05 -21.05 66.36 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 118.959 -1.097 . . . . 0.0 110.815 178.098 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.718 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.4 t -74.07 -59.41 3.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 C-N-CA 127.068 2.147 . . . . 0.0 110.717 -179.385 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.808 HD11 HD11 ' A' ' 6' ' ' ILE . 5.4 mm -56.98 -50.54 75.84 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 125.278 1.611 . . . . 0.0 111.082 -178.053 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -67.42 -25.86 66.13 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 125.88 1.987 . . . . 0.0 112.264 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -80.75 -15.96 55.11 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 124.39 1.056 . . . . 0.0 112.556 175.106 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.728 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.5 t80 -104.04 -21.67 13.56 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 125.055 1.472 . . . . 0.0 109.681 -177.474 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.76 -41.35 11.3 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 124.407 1.067 . . . . 0.0 108.817 -177.68 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.13 -25.9 62.78 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-N 113.904 -1.498 . . . . 0.0 111.339 178.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.61 3.51 28.49 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.947 1.404 . . . . 0.0 112.79 175.692 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 58.97 60.75 2.34 Favored 'General case' 0 C--N 1.359 0.987 0 CA-C-O 121.939 0.876 . . . . 0.0 110.961 -175.763 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.93 54.3 0.55 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 113.458 -1.701 . . . . 0.0 114.071 175.704 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -100.65 -145.95 0.34 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.345 -1.752 . . . . 0.0 107.543 -174.079 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -145.79 -71.48 0.25 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-O 121.459 0.647 . . . . 0.0 109.647 -175.447 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -23.31 67.38 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 113.7 -1.591 . . . . 0.0 111.093 177.046 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -43.84 19.28 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.849 1.343 . . . . 0.0 109.057 -177.582 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.756 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -58.5 -49.22 78.17 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 112.821 -1.99 . . . . 0.0 111.878 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.65 -49.62 74.5 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 125.008 1.443 . . . . 0.0 109.955 174.553 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.97 -32.87 64.27 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 119.022 -1.071 . . . . 0.0 113.406 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -63.52 -55.4 24.26 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 124.262 0.976 . . . . 0.0 110.009 178.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -70.66 -29.95 66.43 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 113.765 -1.561 . . . . 0.0 112.03 -169.844 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.605 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.83 -27.04 31.12 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 125.133 1.52 . . . . 0.0 110.033 -175.673 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t -73.69 -21.96 60.09 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 113.478 -1.692 . . . . 0.0 111.252 177.322 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -75.6 103.26 5.63 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.617 1.198 . . . . 0.0 109.081 175.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -55.68 134.82 51.51 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 112.621 -2.081 . . . . 0.0 110.57 178.493 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -177.64 123.96 0.12 Allowed 'General case' 0 CA--C 1.549 0.907 0 O-C-N 125.495 1.747 . . . . 0.0 108.352 -172.886 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.09 153.38 43.85 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 113.916 -1.493 . . . . 0.0 109.41 178.327 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -133.53 -48.92 0.83 Allowed 'General case' 0 C--N 1.349 0.569 0 O-C-N 124.064 0.853 . . . . 0.0 110.587 -176.316 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 CA--C 1.551 0.999 0 O-C-N 125.002 1.439 . . . . 0.0 112.589 -176.782 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.452 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.939 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.86 -47.79 73.74 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 114.094 -1.412 . . . . 0.0 111.494 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.61 -17.07 61.72 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 112.617 -2.083 . . . . 0.0 110.89 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.764 HG23 HG11 ' A' ' 19' ' ' VAL . 59.9 mt -64.55 -47.24 89.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 C-N-CA 118.197 -1.401 . . . . 0.0 111.481 -175.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.6 -18.56 65.02 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 125.077 1.486 . . . . 0.0 112.506 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.776 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -79.64 -53.43 6.85 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.103 -175.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.789 HD11 ' CD1' ' A' ' 23' ' ' TYR . 8.4 mt -53.8 -44.38 70.1 Favored 'General case' 0 CA--C 1.554 1.102 0 O-C-N 126.385 2.303 . . . . 0.0 109.035 173.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -34.59 77.63 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 114.226 -1.352 . . . . 0.0 112.293 176.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.84 -18.03 64.69 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.842 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.8 mp -77.12 4.2 10.84 Favored 'General case' 0 CA--C 1.559 1.306 0 O-C-N 124.151 0.907 . . . . 0.0 111.87 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.97 25.15 9.22 Favored Glycine 0 C--N 1.357 1.739 0 O-C-N 123.865 0.728 . . . . 0.0 112.903 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.552 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 11.7 m-30 -109.15 -140.68 0.38 Allowed 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.735 0.903 . . . . 0.0 108.969 -171.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 19' ' ' VAL . 24.3 tt0 -161.49 135.99 7.09 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 124.204 0.94 . . . . 0.0 108.753 -176.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -48.1 -19.3 0.26 Allowed 'General case' 0 CA--C 1.56 1.344 0 O-C-N 125.701 1.876 . . . . 0.0 113.934 -174.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -80.96 -54.52 5.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.769 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.711 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.04 -22.16 66.94 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 119.196 -1.002 . . . . 0.0 111.326 178.136 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.764 HG11 HG23 ' A' ' 6' ' ' ILE . 2.8 t -69.74 -57.78 7.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.586 0 C-N-CA 127.179 2.192 . . . . 0.0 110.667 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.9 mt -56.81 -50.82 73.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 125.343 1.652 . . . . 0.0 110.366 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.16 -21.68 65.8 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 125.323 1.639 . . . . 0.0 112.111 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -88.04 -9.22 54.04 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 124.238 0.961 . . . . 0.0 113.276 175.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.789 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.6 t80 -117.74 -2.33 11.41 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 124.747 1.279 . . . . 0.0 110.346 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -111.28 -39.69 4.64 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.76 -26.93 63.57 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 113.851 -1.522 . . . . 0.0 110.519 175.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 36' ' ' PHE . 1.4 m -83.95 7.09 19.43 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 113.508 -1.678 . . . . 0.0 113.037 174.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 56.97 54.2 7.26 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 122.226 1.012 . . . . 0.0 111.249 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm 37.86 58.56 1.41 Allowed 'General case' 0 C--N 1.35 0.63 0 CA-C-N 112.945 -1.934 . . . . 0.0 113.338 170.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.85 -146.95 0.4 Allowed 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 113.279 -1.782 . . . . 0.0 107.715 -172.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -135.23 -76.46 0.45 Allowed 'General case' 0 C--N 1.355 0.818 0 C-N-CA 119.707 -0.797 . . . . 0.0 110.077 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -23.41 64.76 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.508 -1.678 . . . . 0.0 111.085 177.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -45.47 35.78 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 125.13 1.519 . . . . 0.0 109.67 -177.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.758 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -62.79 -47.82 81.79 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 113.431 -1.713 . . . . 0.0 111.888 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.99 74.56 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 125.075 1.485 . . . . 0.0 110.074 174.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.87 -32.97 68.2 Favored 'General case' 0 C--O 1.214 -0.811 0 C-N-CA 118.47 -1.292 . . . . 0.0 112.63 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.402 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 5.6 t80 -62.3 -55.2 30.53 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 124.278 0.986 . . . . 0.0 109.93 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -69.32 -29.2 66.99 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 114.306 -1.315 . . . . 0.0 112.14 -171.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -85.94 -25.22 26.2 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.723 -175.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.355 0.833 0 CA-C-N 113.47 -1.695 . . . . 0.0 112.184 178.797 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.432 ' HA ' HD12 ' A' ' 6' ' ' ILE . 5.0 ptmt . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.91 -46.27 72.05 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.402 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -70.88 -17.03 62.73 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 116.877 -1.929 . . . . 0.0 110.64 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.731 HD11 HD11 ' A' ' 20' ' ' ILE . 30.6 mt -71.84 -33.47 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 119.156 -1.017 . . . . 0.0 111.57 -173.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 9.7 pt-20 -78.61 -17.75 55.59 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 124.286 0.991 . . . . 0.0 110.959 176.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.759 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -82.6 -54.21 5.34 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 124.858 1.349 . . . . 0.0 110.192 -177.238 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.758 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.4 mt -52.94 -49.78 65.33 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 126.567 2.417 . . . . 0.0 108.693 173.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -63.97 -33.81 76.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 118.972 -1.091 . . . . 0.0 113.09 174.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.08 -18.95 65.68 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 124.351 1.032 . . . . 0.0 112.721 -176.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.3 mp -77.73 5.13 9.98 Favored 'General case' 0 CA--C 1.562 1.413 0 O-C-N 124.224 0.952 . . . . 0.0 111.886 175.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.63 27.33 9.15 Favored Glycine 0 C--N 1.358 1.796 0 O-C-N 123.722 0.639 . . . . 0.0 112.62 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 11.9 m-30 -108.42 -144.82 0.39 Allowed 'General case' 0 C--N 1.358 0.935 0 O-C-N 125.134 1.137 . . . . 0.0 108.671 -173.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.7 tt0 -162.24 141.87 9.67 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.409 1.068 . . . . 0.0 108.923 -175.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.83 -24.99 0.45 Allowed 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 127.256 2.223 . . . . 0.0 114.39 -173.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.06 -50.37 8.03 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.435 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.816 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.91 -20.75 66.33 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 118.784 -1.166 . . . . 0.0 110.513 176.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.633 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -74.86 -60.2 2.6 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.619 0 C-N-CA 127.398 2.279 . . . . 0.0 111.095 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.731 HD11 HD11 ' A' ' 6' ' ' ILE . 5.9 mm -59.36 -46.61 92.42 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 O-C-N 125.509 1.756 . . . . 0.0 110.805 -178.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.82 -28.98 67.23 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 125.737 1.898 . . . . 0.0 111.493 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -78.19 -17.23 57.06 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 124.536 1.148 . . . . 0.0 112.906 175.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.758 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.4 t80 -100.12 -25.45 14.28 Favored 'General case' 0 C--O 1.219 -0.553 0 O-C-N 125.072 1.482 . . . . 0.0 109.071 -177.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.37 -37.92 13.67 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 123.996 0.81 . . . . 0.0 109.95 -175.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.32 -25.22 62.32 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 113.854 -1.521 . . . . 0.0 110.769 176.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.468 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.4 m -84.17 8.68 14.88 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 113.824 -1.535 . . . . 0.0 112.452 173.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 55.47 57.93 4.98 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 122.376 1.084 . . . . 0.0 111.308 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm 33.88 59.14 0.57 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 112.594 -2.093 . . . . 0.0 113.921 174.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -104.87 -143.12 0.37 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 114.242 -1.344 . . . . 0.0 108.639 -170.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -140.61 -75.59 0.33 Allowed 'General case' 0 C--N 1.352 0.705 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.194 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -23.7 64.72 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.217 -1.811 . . . . 0.0 111.052 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -76.82 -45.8 27.26 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 125.194 1.558 . . . . 0.0 109.558 -176.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.759 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -61.63 -47.19 86.55 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 113.396 -1.729 . . . . 0.0 111.891 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.82 -48.6 75.13 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 125.195 1.559 . . . . 0.0 109.72 174.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -58.02 -33.56 69.08 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 118.527 -1.269 . . . . 0.0 112.691 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -63.03 -53.34 55.43 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 124.37 1.044 . . . . 0.0 109.785 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.816 HD23 HD12 ' A' ' 18' ' ' LEU . 1.1 mt -70.23 -30.4 67.47 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 113.678 -1.601 . . . . 0.0 112.3 -170.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.568 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -86.7 -26.53 24.22 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 113.821 -1.536 . . . . 0.0 109.725 -175.568 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.357 0.911 0 CA-C-N 113.067 -1.879 . . . . 0.0 112.037 178.222 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.427 ' HA ' HD12 ' A' ' 6' ' ' ILE . 1.8 pttm . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -48.87 74.13 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 113.429 -1.714 . . . . 0.0 110.99 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.64 -17.08 60.11 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-N 112.502 -2.135 . . . . 0.0 110.834 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.718 ' CD1' HD11 ' A' ' 20' ' ' ILE . 27.0 mt -70.83 -41.48 77.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 C-N-CA 117.989 -1.484 . . . . 0.0 111.411 -177.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.83 -18.1 63.43 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 117.965 -1.494 . . . . 0.0 112.385 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.779 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -82.45 -55.52 4.44 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 124.985 1.428 . . . . 0.0 109.925 -176.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.749 HD11 ' CD1' ' A' ' 23' ' ' TYR . 11.4 mt -49.71 -50.6 43.34 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 126.348 2.28 . . . . 0.0 109.187 174.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.597 ' HD2' HG22 ' A' ' 6' ' ' ILE . 53.9 mtpt -63.77 -35.81 81.81 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.851 177.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.24 -19.76 65.92 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 124.762 1.289 . . . . 0.0 112.826 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.8 mp -77.28 4.82 9.75 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 124.262 0.976 . . . . 0.0 111.791 175.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.7 23.07 9.63 Favored Glycine 0 C--N 1.357 1.732 0 O-C-N 123.946 0.779 . . . . 0.0 112.719 176.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.613 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 6.6 m-30 -107.56 -146.33 0.4 Allowed 'General case' 0 C--N 1.357 0.923 0 O-C-N 125.191 1.171 . . . . 0.0 108.566 -173.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.512 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.4 tp10 -163.42 142.11 8.08 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.385 1.053 . . . . 0.0 108.527 -176.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -45.69 -24.69 0.39 Allowed 'General case' 0 CA--C 1.555 1.137 0 O-C-N 126.137 2.148 . . . . 0.0 114.526 -173.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -52.9 7.14 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 123.67 0.607 . . . . 0.0 110.772 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.744 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -69.13 -15.73 63.49 Favored 'General case' 0 C--N 1.357 0.931 0 O-C-N 124.686 1.241 . . . . 0.0 111.365 179.036 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.706 HG11 HG23 ' A' ' 6' ' ' ILE . 2.6 t -78.93 -58.38 4.1 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.621 0 O-C-N 126.059 2.099 . . . . 0.0 109.994 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.718 HD11 ' CD1' ' A' ' 6' ' ' ILE . 6.5 mm -57.75 -49.91 79.29 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 O-C-N 125.604 1.815 . . . . 0.0 111.122 -178.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -67.97 -29.27 68.27 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 125.4 1.688 . . . . 0.0 111.681 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -77.3 -18.91 57.13 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 124.527 1.142 . . . . 0.0 112.827 177.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.749 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.5 t80 -97.99 -27.36 14.28 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 125.352 1.657 . . . . 0.0 109.3 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.12 -39.14 14.8 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 124.209 0.943 . . . . 0.0 110.046 -175.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.04 -26.24 64.88 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 125.301 1.626 . . . . 0.0 110.592 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.614 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -83.5 4.74 26.63 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 113.757 -1.565 . . . . 0.0 113.046 175.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 57.01 61.97 2.4 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-O 122.195 0.997 . . . . 0.0 111.151 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm 29.21 60.38 0.15 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.691 2.396 . . . . 0.0 112.953 174.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -104.66 -142.71 0.37 Allowed 'General case' 0 C--N 1.356 0.848 0 CA-C-N 113.534 -1.667 . . . . 0.0 108.102 -171.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -140.5 -75.89 0.33 Allowed 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.861 0.726 . . . . 0.0 110.306 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -21.8 62.79 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 113.257 -1.792 . . . . 0.0 111.267 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.614 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -78.23 -48.35 15.98 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 125.421 1.701 . . . . 0.0 109.736 -178.732 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.797 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -60.8 -45.27 95.07 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 113.533 -1.667 . . . . 0.0 111.695 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.07 -48.23 79.08 Favored 'General case' 0 C--O 1.209 -1.035 0 O-C-N 125.231 1.582 . . . . 0.0 109.8 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -55.65 -36.91 67.56 Favored 'General case' 0 C--O 1.204 -1.311 0 C-N-CA 117.951 -1.5 . . . . 0.0 112.915 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -59.56 -54.44 46.55 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 124.399 1.062 . . . . 0.0 110.916 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -71.33 -28.98 64.47 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 113.806 -1.543 . . . . 0.0 111.731 -170.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.613 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -85.09 -25.91 27.26 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 113.952 -1.476 . . . . 0.0 110.202 -176.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--N 1.355 0.839 0 CA-C-N 113.416 -1.72 . . . . 0.0 111.394 177.785 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.61 -44.45 82.07 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 124.812 1.32 . . . . 0.0 112.034 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.416 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -76.27 -14.33 60.12 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 113.256 -1.793 . . . . 0.0 111.005 176.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.767 ' CD1' HD11 ' A' ' 20' ' ' ILE . 30.0 mt -75.2 -27.13 19.34 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 C-N-CA 118.205 -1.398 . . . . 0.0 111.71 -175.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -84.01 -16.15 45.04 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 124.151 0.907 . . . . 0.0 111.268 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.797 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.37 -55.16 4.15 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 124.751 1.282 . . . . 0.0 110.213 -177.585 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.738 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.9 mt -51.57 -49.97 61.03 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 126.49 2.369 . . . . 0.0 108.92 172.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -60.17 -38.27 82.67 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.842 -1.072 . . . . 0.0 113.307 174.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.71 -19.44 65.9 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 124.378 1.049 . . . . 0.0 113.011 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.1 mp -76.92 3.99 10.91 Favored 'General case' 0 CA--C 1.559 1.321 0 O-C-N 124.178 0.924 . . . . 0.0 111.993 176.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.93 24.2 9.29 Favored Glycine 0 C--N 1.359 1.834 0 O-C-N 123.852 0.72 . . . . 0.0 112.756 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.7 m-30 -106.61 -144.79 0.38 Allowed 'General case' 0 C--N 1.357 0.932 0 O-C-N 125.186 1.168 . . . . 0.0 108.768 -174.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 19' ' ' VAL . 3.6 tt0 -162.47 139.79 8.16 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -176.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -47.64 -22.84 0.56 Allowed 'General case' 0 CA--C 1.556 1.18 0 O-C-N 125.603 1.814 . . . . 0.0 113.972 -173.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.43 -52.18 7.53 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.068 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.708 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -67.42 -19.16 65.34 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 118.461 -1.296 . . . . 0.0 110.975 177.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.673 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -74.79 -59.45 3.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 C-N-CA 127.485 2.314 . . . . 0.0 110.508 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.767 HD11 ' CD1' ' A' ' 6' ' ' ILE . 6.8 mm -58.04 -47.16 87.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.35 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -71.06 -27.94 64.01 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 125.429 1.705 . . . . 0.0 111.669 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -76.68 -19.33 57.85 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 124.622 1.201 . . . . 0.0 112.575 175.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.738 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.2 t80 -97.45 -29.05 13.71 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 125.214 1.571 . . . . 0.0 108.832 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.21 -38.22 16.56 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 124.077 0.861 . . . . 0.0 110.181 -176.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.96 -26.04 64.84 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.584 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.5 m -85.99 10.55 13.8 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 113.617 -1.629 . . . . 0.0 112.835 174.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 55.36 58.02 4.96 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 122.418 1.104 . . . . 0.0 111.46 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt 31.76 60.36 0.31 Allowed 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 112.451 -2.159 . . . . 0.0 113.708 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -106.05 -147.69 0.4 Allowed 'General case' 0 C--N 1.361 1.096 0 CA-C-N 114.578 -1.192 . . . . 0.0 108.686 -172.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -134.28 -76.22 0.47 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-O 121.457 0.646 . . . . 0.0 110.671 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.46 -21.29 64.04 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 113.251 -1.795 . . . . 0.0 111.121 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.443 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.97 -46.58 20.71 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 125.253 1.595 . . . . 0.0 109.924 -177.563 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.815 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -60.99 -46.74 89.54 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.691 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.13 78.98 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.324 174.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -33.48 67.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 118.702 -1.199 . . . . 0.0 112.798 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.32 -50.91 63.84 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 124.441 1.088 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.815 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -73.28 -29.32 62.65 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 113.62 -1.627 . . . . 0.0 111.711 -171.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.591 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -85.59 -26.25 26.21 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 114.208 -1.36 . . . . 0.0 110.479 -175.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.355 0.825 0 CA-C-N 113.212 -1.813 . . . . 0.0 110.886 176.823 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.427 ' HA ' HD12 ' A' ' 6' ' ' ILE . 7.0 pttm . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -43.44 80.23 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 124.624 1.202 . . . . 0.0 111.479 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.35 -19.16 60.55 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.48 176.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.791 ' CD1' HD11 ' A' ' 20' ' ' ILE . 27.8 mt -69.96 -42.18 79.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.827 0 C-N-CA 118.257 -1.377 . . . . 0.0 111.212 -173.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.18 -17.7 63.83 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 119.353 -0.939 . . . . 0.0 112.506 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.75 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -82.17 -57.31 3.45 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.445 1.091 . . . . 0.0 110.428 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.686 HD11 ' CD1' ' A' ' 23' ' ' TYR . 12.7 mt -47.59 -50.36 24.29 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 127.666 2.386 . . . . 0.0 109.186 173.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.691 ' HD2' HG22 ' A' ' 6' ' ' ILE . 8.9 mtpm? -64.88 -36.42 84.29 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.396 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.79 -19.61 65.78 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.582 -1.19 . . . . 0.0 112.702 -177.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.75 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.9 mp -76.25 3.46 10.76 Favored 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.142 0.901 . . . . 0.0 111.674 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.06 23.58 8.5 Favored Glycine 0 C--N 1.358 1.753 0 O-C-N 123.675 0.609 . . . . 0.0 112.589 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.0 m-30 -108.01 -146.19 0.4 Allowed 'General case' 0 C--N 1.354 0.784 0 O-C-N 125.005 1.062 . . . . 0.0 108.244 -173.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.497 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.8 tp10 -160.24 141.21 12.13 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -175.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.19 -27.65 0.43 Allowed 'General case' 0 CA--C 1.554 1.119 0 O-C-N 125.239 1.587 . . . . 0.0 114.764 -176.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.54 -50.63 10.43 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.244 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.709 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -68.13 -20.52 64.91 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.485 1.116 . . . . 0.0 111.089 178.178 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.752 ' HA ' HD21 ' A' ' 37' ' ' LEU . 3.2 t -76.5 -55.77 10.11 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 126.944 2.098 . . . . 0.0 110.482 -177.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.791 HD11 ' CD1' ' A' ' 6' ' ' ILE . 8.0 mm -62.12 -43.31 97.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 CA-C-N 113.365 -1.743 . . . . 0.0 110.669 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -74.74 -25.94 59.45 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 125.822 1.951 . . . . 0.0 111.332 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -78.79 -18.07 54.71 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.712 1.258 . . . . 0.0 112.318 174.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.686 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -93.54 -40.23 10.42 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 124.901 1.375 . . . . 0.0 108.766 -179.726 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.44 -40.44 57.57 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 125.092 1.495 . . . . 0.0 110.247 -175.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.24 -26.17 64.65 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 124.697 1.248 . . . . 0.0 110.616 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.455 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -83.37 4.77 26.01 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.965 -1.47 . . . . 0.0 112.823 175.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 59.25 62.6 1.78 Allowed 'General case' 0 C--N 1.358 0.956 0 O-C-N 123.861 0.725 . . . . 0.0 110.244 -175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? 27.86 63.22 0.1 Allowed 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 113.811 -1.54 . . . . 0.0 113.77 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.424 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -109.8 -148.17 0.42 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-N 113.194 -1.821 . . . . 0.0 107.368 -174.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -142.98 -71.01 0.32 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.631 0.651 . . . . 0.0 110.196 -176.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -22.39 66.63 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.776 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.455 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -79.52 -43.32 23.32 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 124.903 1.377 . . . . 0.0 109.468 -178.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.791 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -61.76 -47.29 85.85 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 113.476 -1.693 . . . . 0.0 111.689 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.67 -49.37 75.29 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 124.916 1.385 . . . . 0.0 109.672 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.23 -38.83 68.97 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 118.689 -1.204 . . . . 0.0 112.253 178.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -58.03 -56.59 20.08 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.039 0.837 . . . . 0.0 110.484 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -68.49 -29.28 67.86 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 125.319 1.637 . . . . 0.0 112.093 -170.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.583 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -86.82 -26.09 24.23 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 124.974 1.421 . . . . 0.0 109.713 -177.147 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.6 m . . . . . 0 C--N 1.358 0.939 0 CA-C-N 113.454 -1.703 . . . . 0.0 111.322 179.146 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.5 ' HA ' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.828 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -44.57 90.0 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 114.117 -1.401 . . . . 0.0 111.448 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.41 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -73.87 -15.29 61.16 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 113.426 -1.715 . . . . 0.0 110.639 177.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.5 HG12 ' HA ' ' A' ' 3' ' ' LYS . 45.2 mm -72.7 -41.89 62.28 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 C-N-CA 118.719 -1.192 . . . . 0.0 112.214 -170.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.91 -17.54 61.5 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 125.108 1.505 . . . . 0.0 111.614 175.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.742 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.32 -54.49 5.89 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 124.913 1.383 . . . . 0.0 110.274 -178.49 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.719 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.6 mt -57.02 -45.23 83.24 Favored 'General case' 0 CA--C 1.551 0.986 0 O-C-N 126.39 2.306 . . . . 0.0 108.123 176.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -37.8 86.08 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.82 174.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.53 -19.17 65.72 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.69 -174.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.2 mp -76.87 3.06 12.84 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 124.29 0.994 . . . . 0.0 111.976 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.94 23.51 8.6 Favored Glycine 0 C--N 1.359 1.817 0 O-C-N 123.882 0.739 . . . . 0.0 113.064 176.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.636 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.6 m-30 -108.23 -147.16 0.41 Allowed 'General case' 0 C--N 1.359 1.002 0 O-C-N 124.922 1.013 . . . . 0.0 109.216 -172.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -155.94 136.44 13.22 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -177.53 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -46.34 -20.61 0.12 Allowed 'General case' 0 CA--C 1.56 1.332 0 O-C-N 125.588 1.805 . . . . 0.0 114.611 -175.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -80.31 -53.95 6.17 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.769 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.725 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.64 -22.31 66.64 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.464 178.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.764 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -72.02 -57.71 6.71 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 C-N-CA 127.869 2.468 . . . . 0.0 110.329 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.91 -49.21 79.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 125.042 1.463 . . . . 0.0 109.859 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -70.92 -24.32 62.43 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 125.747 1.904 . . . . 0.0 112.18 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -80.73 -11.78 59.57 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 124.286 0.991 . . . . 0.0 112.802 174.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.719 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.2 t80 -107.86 -24.38 11.68 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 124.929 1.393 . . . . 0.0 109.961 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.35 -42.12 11.74 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 124.433 1.083 . . . . 0.0 109.397 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.98 -25.94 62.93 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 113.907 -1.497 . . . . 0.0 111.128 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.46 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.1 m -81.34 2.13 29.66 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 113.981 -1.463 . . . . 0.0 112.728 175.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 59.25 61.21 2.12 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-O 122.212 1.006 . . . . 0.0 110.637 -176.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.0 60.69 0.32 Allowed 'General case' 0 C--N 1.35 0.607 0 CA-C-N 113.049 -1.887 . . . . 0.0 113.756 175.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -105.53 -148.91 0.41 Allowed 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.896 -1.956 . . . . 0.0 107.631 -173.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -141.88 -72.62 0.32 Allowed 'General case' 0 C--N 1.35 0.62 0 O-C-N 123.881 0.738 . . . . 0.0 110.035 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -21.94 66.25 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 113.667 -1.606 . . . . 0.0 110.788 178.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.46 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -80.63 -43.4 20.54 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 125.067 1.479 . . . . 0.0 109.583 -178.087 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.797 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -60.0 -48.4 81.86 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 112.789 -2.005 . . . . 0.0 111.906 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.14 -48.34 80.55 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 124.89 1.369 . . . . 0.0 109.986 174.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.2 -33.48 65.36 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 118.669 -1.213 . . . . 0.0 113.196 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -62.06 -56.64 16.95 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 124.687 1.242 . . . . 0.0 109.931 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -69.33 -30.57 68.64 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 124.866 1.353 . . . . 0.0 112.765 -169.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.636 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -83.16 -25.87 31.45 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 113.811 -1.54 . . . . 0.0 110.176 -174.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 C--N 1.354 0.797 0 CA-C-N 113.298 -1.774 . . . . 0.0 112.208 178.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.08 -40.44 86.98 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.513 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.414 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -76.21 -19.15 58.65 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 112.832 -1.985 . . . . 0.0 110.718 175.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.567 HG22 ' HD2' ' A' ' 10' ' ' LYS . 26.3 mm -69.11 -45.79 79.26 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 C-N-CA 118.343 -1.343 . . . . 0.0 110.753 -174.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -68.54 -17.37 64.14 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 124.214 0.946 . . . . 0.0 113.153 175.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.72 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -82.16 -55.52 4.5 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 124.58 1.175 . . . . 0.0 109.941 -177.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.785 HD11 ' CD2' ' A' ' 23' ' ' TYR . 9.3 mt -51.43 -49.06 62.39 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 127.081 2.152 . . . . 0.0 109.093 174.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.568 ' HG3' HG21 ' A' ' 19' ' ' VAL . 48.8 mtpt -63.94 -35.53 80.98 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.548 177.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.82 -19.47 65.75 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 114.286 -1.325 . . . . 0.0 112.503 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.9 mp -77.4 4.88 9.87 Favored 'General case' 0 CA--C 1.56 1.353 0 O-C-N 124.089 0.868 . . . . 0.0 111.767 175.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.64 21.87 10.07 Favored Glycine 0 C--N 1.355 1.622 0 O-C-N 123.717 0.635 . . . . 0.0 112.668 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.604 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.7 m-30 -107.03 -147.37 0.41 Allowed 'General case' 0 CA--C 1.545 0.755 0 O-C-N 125.029 1.076 . . . . 0.0 108.337 -173.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 19' ' ' VAL . 20.4 tt0 -161.28 142.4 11.41 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 124.283 0.989 . . . . 0.0 108.374 -176.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -24.7 0.4 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.864 1.666 . . . . 0.0 114.683 -174.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.57 -51.81 7.86 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.867 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.806 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.82 -22.75 66.57 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 124.326 1.017 . . . . 0.0 111.225 177.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.843 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -74.68 -57.12 7.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 C-N-CA 128.413 2.685 . . . . 0.0 110.944 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 mt -55.31 -54.72 21.93 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 O-C-N 125.247 1.592 . . . . 0.0 109.697 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 39.5 tt0 -62.29 -26.84 68.63 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 125.254 1.596 . . . . 0.0 112.366 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -84.68 -9.45 58.23 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 124.199 0.937 . . . . 0.0 113.424 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.785 ' CD2' HD11 ' A' ' 9' ' ' LEU . 1.8 t80 -119.15 -3.44 10.6 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 124.591 1.182 . . . . 0.0 109.984 -178.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.2 -40.02 4.56 Favored 'General case' 0 C--N 1.346 0.425 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 21' ' ' GLN . . . -72.04 -27.56 62.79 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 124.864 1.353 . . . . 0.0 110.513 174.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.91 1.81 25.78 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 114.144 -1.389 . . . . 0.0 112.905 175.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 58.71 61.48 2.18 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.133 0.895 . . . . 0.0 111.013 -176.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? 32.64 55.19 0.39 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-N 112.656 -2.065 . . . . 0.0 112.685 170.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -100.2 -142.03 0.33 Allowed 'General case' 0 C--N 1.35 0.615 0 CA-C-N 112.644 -2.071 . . . . 0.0 107.338 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -143.6 -78.56 0.22 Allowed 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.732 0.645 . . . . 0.0 109.517 -177.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.58 -21.74 65.84 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 114.059 -1.428 . . . . 0.0 111.343 176.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.17 -42.88 22.56 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 125.079 1.487 . . . . 0.0 109.644 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.745 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -66.06 -45.53 81.01 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.032 -1.894 . . . . 0.0 111.164 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.36 -49.39 72.39 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 125.49 1.743 . . . . 0.0 109.971 172.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -34.88 60.62 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 118.866 -1.134 . . . . 0.0 113.104 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.51 -54.8 38.53 Favored 'General case' 0 CA--C 1.55 0.976 0 O-C-N 124.295 0.997 . . . . 0.0 110.869 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.843 HD21 ' HA ' ' A' ' 19' ' ' VAL . 1.7 mp -71.65 -28.96 64.11 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.679 -170.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.604 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.82 -26.89 31.28 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 125.171 1.544 . . . . 0.0 109.499 -177.182 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.354 0.802 0 CA-C-N 113.483 -1.69 . . . . 0.0 112.446 177.769 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -58.45 -56.34 23.4 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 113.942 -1.481 . . . . 0.0 111.211 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.47 -18.1 61.16 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 112.774 -2.012 . . . . 0.0 111.32 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.734 HD11 HD11 ' A' ' 20' ' ' ILE . 43.3 mt -65.42 -47.81 85.43 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 118.26 -1.376 . . . . 0.0 111.072 -174.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -68.52 -17.77 64.23 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 125.244 1.59 . . . . 0.0 112.128 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.762 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -80.58 -53.08 6.87 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 125.172 1.545 . . . . 0.0 110.265 -175.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.709 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.1 mt -55.75 -46.13 77.89 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 127.483 2.313 . . . . 0.0 108.341 174.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -35.82 82.03 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.564 -1.198 . . . . 0.0 112.777 175.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.34 -18.47 65.17 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.768 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.4 mp -77.46 4.24 11.51 Favored 'General case' 0 CA--C 1.558 1.277 0 O-C-N 124.207 0.942 . . . . 0.0 111.836 175.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.43 24.4 9.5 Favored Glycine 0 C--N 1.359 1.841 0 O-C-N 124.003 0.814 . . . . 0.0 112.972 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.619 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.0 m-30 -107.25 -145.17 0.39 Allowed 'General case' 0 C--N 1.357 0.934 0 O-C-N 125.056 1.092 . . . . 0.0 109.241 -173.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.4 tt0 -157.06 138.49 13.9 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.12 0.888 . . . . 0.0 109.09 -178.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG3' HG21 ' A' ' 6' ' ' ILE . 48.3 tt0 -45.51 -24.4 0.32 Allowed 'General case' 0 CA--C 1.558 1.284 0 O-C-N 125.842 1.964 . . . . 0.0 113.915 -175.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.1 -52.9 7.23 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.569 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.711 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.5 -22.43 66.73 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 118.955 -1.098 . . . . 0.0 110.734 177.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.712 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -70.05 -58.33 5.76 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 C-N-CA 127.688 2.395 . . . . 0.0 111.175 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.734 HD11 HD11 ' A' ' 6' ' ' ILE . 4.8 mm -57.01 -48.96 80.82 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 O-C-N 125.506 1.754 . . . . 0.0 110.437 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -70.3 -24.17 62.98 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 125.566 1.791 . . . . 0.0 112.258 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -82.86 -10.81 58.66 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.535 1.147 . . . . 0.0 112.95 174.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.709 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -108.49 -21.3 12.79 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 124.923 1.389 . . . . 0.0 110.135 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -92.01 -42.63 9.87 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.398 1.061 . . . . 0.0 108.989 -178.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.46 -25.89 62.49 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 114.012 -1.449 . . . . 0.0 111.227 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.7 0.51 34.13 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 114.018 -1.446 . . . . 0.0 112.829 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 57.5 67.41 0.98 Allowed 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.255 0.972 . . . . 0.0 110.919 -173.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 28.75 58.6 0.13 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 112.085 -2.325 . . . . 0.0 113.345 173.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.59 -162.14 0.82 Allowed 'General case' 0 C--N 1.35 0.601 0 CA-C-N 112.589 -2.096 . . . . 0.0 107.064 -175.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -129.81 -74.83 0.55 Allowed 'General case' 0 C--N 1.35 0.607 0 O-C-N 124.274 0.984 . . . . 0.0 109.344 -173.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -21.45 66.02 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.466 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -82.78 -41.22 19.41 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.992 1.432 . . . . 0.0 110.113 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.745 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -60.97 -49.13 78.68 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 112.59 -2.095 . . . . 0.0 111.776 177.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.05 -48.28 78.93 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 124.973 1.421 . . . . 0.0 109.942 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -56.32 -34.61 66.71 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 118.311 -1.356 . . . . 0.0 113.107 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -60.27 -54.31 47.26 Favored 'General case' 0 CA--C 1.55 0.979 0 O-C-N 124.375 1.047 . . . . 0.0 110.701 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.745 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.2 mp -72.25 -29.16 63.65 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 114.517 -1.22 . . . . 0.0 112.364 -171.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.619 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.78 -26.54 31.73 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.158 -1.383 . . . . 0.0 110.183 -176.003 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.7 t . . . . . 0 C--N 1.355 0.81 0 CA-C-N 113.16 -1.837 . . . . 0.0 111.82 179.154 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.486 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -69.42 -39.02 78.13 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.68 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.41 -15.04 59.56 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 112.111 -2.313 . . . . 0.0 110.232 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.712 HD11 HD11 ' A' ' 20' ' ' ILE . 41.2 mt -75.79 -22.59 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 118.916 -1.114 . . . . 0.0 112.145 -175.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -88.02 -16.1 34.59 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 124.059 0.85 . . . . 0.0 110.633 174.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.786 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -85.0 -54.98 4.3 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.858 1.349 . . . . 0.0 110.306 -178.512 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.736 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.0 mt -52.2 -49.75 63.28 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 126.445 2.34 . . . . 0.0 108.717 172.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -62.47 -35.65 79.99 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 119.054 -1.058 . . . . 0.0 113.103 175.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.59 -19.39 65.9 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 124.508 1.13 . . . . 0.0 112.812 -176.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.1 mp -76.91 4.12 10.58 Favored 'General case' 0 CA--C 1.56 1.342 0 O-C-N 124.196 0.935 . . . . 0.0 111.988 175.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.14 26.21 8.47 Favored Glycine 0 C--N 1.358 1.752 0 O-C-N 123.803 0.69 . . . . 0.0 112.675 176.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.601 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.2 m-30 -107.98 -145.16 0.39 Allowed 'General case' 0 C--N 1.358 0.954 0 O-C-N 125.124 1.132 . . . . 0.0 108.913 -173.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.8 tp10 -159.9 140.66 12.18 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -51.75 -19.32 1.58 Allowed 'General case' 0 CA--C 1.56 1.335 0 O-C-N 125.275 1.609 . . . . 0.0 113.696 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -52.85 7.17 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 120.329 -0.548 . . . . 0.0 111.032 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.736 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.51 -20.65 66.09 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 124.768 1.292 . . . . 0.0 110.65 179.268 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.739 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.4 t -74.54 -57.9 5.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 C-N-CA 127.56 2.344 . . . . 0.0 111.067 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.712 HD11 HD11 ' A' ' 6' ' ' ILE . 5.1 mm -56.8 -51.06 72.18 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 O-C-N 125.521 1.763 . . . . 0.0 110.314 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -68.14 -23.28 64.86 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 125.754 1.909 . . . . 0.0 112.377 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -85.23 -15.22 44.29 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.537 1.148 . . . . 0.0 113.12 176.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.736 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.5 t80 -106.27 -14.87 14.99 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 125.004 1.44 . . . . 0.0 109.413 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -98.93 -38.94 8.81 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.82 -25.74 63.9 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 125.261 1.601 . . . . 0.0 110.765 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.508 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -84.11 5.87 24.46 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.93 -1.486 . . . . 0.0 112.851 175.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 59.36 55.07 4.38 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 122.154 0.978 . . . . 0.0 111.841 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? 31.86 52.91 0.24 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-N 112.94 -1.936 . . . . 0.0 113.144 173.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.6 -100.88 0.09 Allowed 'General case' 0 C--N 1.354 0.803 0 CA-C-N 111.896 -2.411 . . . . 0.0 107.31 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 170.4 -81.32 0.0 OUTLIER 'General case' 0 C--N 1.353 0.739 0 O-C-N 124.471 1.107 . . . . 0.0 109.068 -172.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.05 -23.02 66.22 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 113.836 -1.529 . . . . 0.0 110.641 179.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.508 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -76.94 -44.03 33.05 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 125.187 1.554 . . . . 0.0 109.599 179.504 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.819 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -62.66 -46.04 90.05 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.16 -1.836 . . . . 0.0 111.887 -177.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.28 -48.32 68.42 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 125.221 1.576 . . . . 0.0 109.95 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -57.39 -35.41 69.98 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 118.443 -1.303 . . . . 0.0 113.087 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.0 -51.91 66.12 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 124.397 1.061 . . . . 0.0 110.409 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.819 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -72.6 -30.42 64.34 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.229 -1.35 . . . . 0.0 112.087 -169.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.601 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -84.1 -26.24 29.1 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-N 114.11 -1.405 . . . . 0.0 110.2 -175.347 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--N 1.357 0.894 0 CA-C-N 113.149 -1.842 . . . . 0.0 111.14 177.818 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.541 ' HA ' HG12 ' A' ' 6' ' ' ILE . 31.5 pttt . . . . . 0 CA--C 1.549 0.919 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -39.29 84.72 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.546 1.154 . . . . 0.0 111.202 178.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.32 -15.95 60.45 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 112.996 -1.911 . . . . 0.0 110.377 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.541 HG12 ' HA ' ' A' ' 3' ' ' LYS . 29.8 mm -75.18 -27.1 19.35 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 C-N-CA 118.662 -1.215 . . . . 0.0 111.989 -172.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -85.89 -15.91 40.24 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.173 0.921 . . . . 0.0 111.344 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.7 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -84.23 -53.77 5.27 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.709 1.256 . . . . 0.0 109.81 -176.483 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.733 HD11 ' CD1' ' A' ' 23' ' ' TYR . 11.6 mt -56.39 -48.31 77.15 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 126.508 2.38 . . . . 0.0 108.604 175.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -61.64 -35.26 77.42 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.99 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.08 -18.83 65.5 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.455 1.097 . . . . 0.0 112.838 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.0 mp -77.17 5.34 8.53 Favored 'General case' 0 CA--C 1.557 1.241 0 O-C-N 124.169 0.918 . . . . 0.0 111.654 175.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.43 31.61 7.07 Favored Glycine 0 C--N 1.358 1.779 0 O-C-N 123.939 0.775 . . . . 0.0 112.288 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.571 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.6 m-30 -112.22 -145.36 0.4 Allowed 'General case' 0 C--N 1.359 1.02 0 O-C-N 125.424 1.308 . . . . 0.0 108.956 -175.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 19' ' ' VAL . 3.6 tp10 -160.11 141.34 12.41 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 -176.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -50.55 -20.07 1.07 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 125.143 1.527 . . . . 0.0 114.225 -175.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -53.82 6.33 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.913 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.703 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.93 -20.99 66.41 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 124.596 1.185 . . . . 0.0 110.953 179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.696 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.2 t -75.8 -59.18 3.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 C-N-CA 128.141 2.576 . . . . 0.0 110.91 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.0 mm -56.12 -47.66 80.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 O-C-N 125.197 1.561 . . . . 0.0 110.142 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -72.46 -25.87 61.6 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 125.583 1.802 . . . . 0.0 112.325 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -78.87 -16.09 57.51 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.363 1.04 . . . . 0.0 112.743 174.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.733 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -101.01 -29.78 11.99 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 124.913 1.383 . . . . 0.0 108.69 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -85.16 -39.99 17.22 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 124.332 1.02 . . . . 0.0 110.148 -176.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.59 -25.76 64.13 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 114.104 -1.407 . . . . 0.0 110.741 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.499 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -83.19 4.29 27.34 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.835 -1.529 . . . . 0.0 113.059 176.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 57.19 61.65 2.48 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 122.362 1.077 . . . . 0.0 111.311 -175.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm 30.64 58.19 0.22 Allowed 'General case' 0 C--N 1.354 0.767 0 C-N-CA 127.925 2.49 . . . . 0.0 112.938 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.0 -138.72 0.35 Allowed 'General case' 0 C--N 1.356 0.885 0 CA-C-N 113.355 -1.748 . . . . 0.0 108.793 -170.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.54 -70.88 0.19 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 119.161 -1.016 . . . . 0.0 109.658 -176.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -66.72 -21.26 66.08 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 112.73 -2.032 . . . . 0.0 110.728 176.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -80.05 -44.52 19.94 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 125.051 1.469 . . . . 0.0 109.729 -179.171 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.78 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -62.05 -47.52 84.32 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.846 -179.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.76 -48.82 76.99 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 125.201 1.563 . . . . 0.0 109.706 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -58.35 -33.22 69.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 118.364 -1.334 . . . . 0.0 112.722 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -62.25 -53.57 53.28 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 124.267 0.979 . . . . 0.0 110.028 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -71.45 -28.94 64.31 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 113.449 -1.705 . . . . 0.0 111.857 -170.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.571 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -86.43 -26.1 24.89 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 125.021 1.451 . . . . 0.0 110.13 -176.285 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.6 t . . . . . 0 C--N 1.356 0.89 0 CA-C-N 113.637 -1.619 . . . . 0.0 111.823 178.132 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.513 ' HA ' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.869 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.72 -41.87 87.21 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.861 1.35 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.38 -15.61 60.45 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 112.778 -2.01 . . . . 0.0 110.66 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.513 HG12 ' HA ' ' A' ' 3' ' ' LYS . 29.5 mm -77.11 -23.57 14.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 C-N-CA 118.629 -1.228 . . . . 0.0 112.3 -172.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 23.4 pt-20 -89.84 -15.5 32.11 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 124.377 1.048 . . . . 0.0 110.89 173.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.693 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -83.92 -53.42 5.59 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 124.71 1.256 . . . . 0.0 109.793 -176.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.72 HD11 ' CD1' ' A' ' 23' ' ' TYR . 11.6 mt -58.26 -47.77 82.54 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 126.529 2.393 . . . . 0.0 108.543 175.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -62.41 -33.75 75.39 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 119.343 -0.943 . . . . 0.0 112.686 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.07 -19.2 65.77 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 124.149 0.906 . . . . 0.0 112.601 -175.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.4 mp -77.7 4.37 11.72 Favored 'General case' 0 CA--C 1.561 1.384 0 O-C-N 124.144 0.902 . . . . 0.0 111.839 175.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.06 27.22 7.92 Favored Glycine 0 C--N 1.357 1.709 0 O-C-N 123.636 0.585 . . . . 0.0 112.858 175.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.578 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.7 m-30 -109.49 -145.11 0.39 Allowed 'General case' 0 CA--C 1.548 0.888 0 O-C-N 124.873 0.984 . . . . 0.0 108.77 -172.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 19' ' ' VAL . 5.7 tp10 -158.9 140.94 13.76 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -52.7 -17.86 1.53 Allowed 'General case' 0 CA--C 1.56 1.332 0 O-C-N 125.216 1.572 . . . . 0.0 113.714 -174.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.56 -53.97 6.09 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.968 177.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.704 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.45 -21.95 66.7 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 124.449 1.093 . . . . 0.0 111.162 179.697 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.736 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.2 t -74.9 -59.74 3.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 C-N-CA 127.93 2.492 . . . . 0.0 110.864 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mm -55.58 -46.34 79.12 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 O-C-N 125.136 1.522 . . . . 0.0 110.422 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -72.04 -29.21 63.94 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 125.962 2.038 . . . . 0.0 112.048 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -76.54 -16.79 59.53 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 124.12 0.888 . . . . 0.0 112.486 176.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.72 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.1 t80 -98.4 -39.76 8.62 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 124.863 1.352 . . . . 0.0 108.381 -177.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -74.11 -41.51 61.52 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 125.052 1.47 . . . . 0.0 110.799 -177.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.68 -25.09 63.72 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.607 1.192 . . . . 0.0 110.583 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.46 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -84.04 4.52 29.66 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 114.16 -1.382 . . . . 0.0 113.099 176.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 61.28 59.21 1.99 Allowed 'General case' 0 C--N 1.359 0.983 0 CA-C-O 122.148 0.975 . . . . 0.0 110.383 -176.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.99 50.97 0.37 Allowed 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 113.244 -1.798 . . . . 0.0 114.101 175.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -96.61 -144.08 0.28 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 113.207 -1.815 . . . . 0.0 108.194 -172.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -146.13 -72.85 0.23 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-O 121.495 0.664 . . . . 0.0 109.534 -177.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.78 -23.19 67.1 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.13 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.46 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -79.48 -43.34 23.38 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 124.859 1.349 . . . . 0.0 109.26 -178.312 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.797 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -62.02 -47.49 84.52 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 113.462 -1.699 . . . . 0.0 111.633 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.88 -49.61 72.9 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 124.987 1.43 . . . . 0.0 109.624 175.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -56.41 -36.74 69.28 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 118.382 -1.327 . . . . 0.0 112.94 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.94 -53.34 59.05 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 124.138 0.899 . . . . 0.0 110.592 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -70.83 -28.75 64.85 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 113.741 -1.572 . . . . 0.0 111.75 -170.517 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.578 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -87.45 -24.8 24.03 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 124.97 1.419 . . . . 0.0 109.955 -176.746 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.354 0.776 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.901 178.78 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.496 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -49.73 61.54 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 113.724 -1.58 . . . . 0.0 109.861 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.428 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -70.1 -18.72 63.26 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 113.148 -1.842 . . . . 0.0 110.913 176.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.787 HD11 HD11 ' A' ' 20' ' ' ILE . 31.9 mt -69.37 -45.56 78.58 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 C-N-CA 118.828 -1.149 . . . . 0.0 111.056 -175.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -66.99 -18.96 65.63 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 119.14 -1.024 . . . . 0.0 112.353 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.76 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -80.38 -57.59 3.53 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 124.729 1.268 . . . . 0.0 110.256 -177.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.71 HD11 ' CD1' ' A' ' 23' ' ' TYR . 8.2 mt -47.39 -50.63 22.0 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 127.262 2.225 . . . . 0.0 109.329 173.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.706 ' HD2' HG22 ' A' ' 6' ' ' ILE . 8.9 mtpm? -63.62 -36.61 84.37 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.57 177.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.74 -19.7 65.81 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.222 -1.353 . . . . 0.0 112.717 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.3 mp -77.44 4.72 10.32 Favored 'General case' 0 CA--C 1.561 1.379 0 O-C-N 124.137 0.898 . . . . 0.0 111.689 175.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.18 22.42 9.92 Favored Glycine 0 C--N 1.359 1.827 0 O-C-N 123.772 0.67 . . . . 0.0 112.749 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.558 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.1 m-30 -106.63 -145.3 0.39 Allowed 'General case' 0 C--N 1.358 0.954 0 O-C-N 124.983 1.049 . . . . 0.0 108.719 -173.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 19' ' ' VAL . 5.4 tp10 -162.47 141.06 8.89 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -175.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -46.01 -25.96 0.65 Allowed 'General case' 0 CA--C 1.556 1.193 0 O-C-N 125.3 1.625 . . . . 0.0 114.539 -175.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.15 -51.72 8.64 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.849 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.73 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -67.54 -18.01 64.87 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 118.695 -1.202 . . . . 0.0 110.878 178.794 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.793 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.5 t -78.98 -58.44 4.01 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 C-N-CA 126.824 2.05 . . . . 0.0 110.498 -177.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.787 HD11 HD11 ' A' ' 6' ' ' ILE . 7.2 mm -60.07 -48.47 87.8 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 O-C-N 125.49 1.744 . . . . 0.0 110.552 -179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -25.6 65.87 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 125.824 1.953 . . . . 0.0 111.769 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -82.58 -19.28 38.79 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.559 1.162 . . . . 0.0 112.474 176.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.71 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -96.35 -22.56 17.11 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 124.908 1.38 . . . . 0.0 109.034 -179.299 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.3 -36.24 12.06 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 123.82 0.7 . . . . 0.0 109.537 -177.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.2 -26.69 64.0 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 124.855 1.347 . . . . 0.0 110.808 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -84.45 5.31 27.85 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 124.895 1.372 . . . . 0.0 112.657 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 56.32 60.02 3.37 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.871 0.843 . . . . 0.0 111.503 -175.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? 27.49 54.79 0.07 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 127.837 2.455 . . . . 0.0 113.176 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.59 -27.21 14.12 Favored 'General case' 0 C--N 1.36 1.054 0 CA-C-N 113.49 -1.686 . . . . 0.0 111.752 -168.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 91.28 -65.52 0.01 OUTLIER 'General case' 0 C--N 1.351 0.66 0 O-C-N 125.893 1.996 . . . . 0.0 111.513 171.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.9 -23.33 66.61 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.621 -1.627 . . . . 0.0 111.114 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.97 -34.83 17.94 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.977 1.423 . . . . 0.0 109.172 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.758 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -63.28 -44.5 94.9 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 113.492 -1.685 . . . . 0.0 111.608 -177.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.43 -48.02 75.07 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 125.091 1.494 . . . . 0.0 109.658 174.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -57.28 -33.9 68.12 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.903 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -60.22 -56.15 25.09 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.572 1.17 . . . . 0.0 109.92 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.793 HD21 ' HA ' ' A' ' 19' ' ' VAL . 1.4 mp -70.27 -31.33 68.64 Favored 'General case' 0 CA--C 1.552 1.039 0 O-C-N 124.644 1.215 . . . . 0.0 112.161 -169.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.558 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.19 -24.56 34.88 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 124.995 1.434 . . . . 0.0 110.006 -176.058 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--N 1.355 0.833 0 CA-C-N 113.407 -1.724 . . . . 0.0 111.825 176.137 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.498 ' HA ' HG12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER . . . . . 0 CA--C 1.541 0.603 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.12 -38.9 92.14 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.714 -1.584 . . . . 0.0 111.718 174.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.411 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -75.76 -15.85 60.21 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 113.717 -1.583 . . . . 0.0 110.698 176.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.498 HG12 ' HA ' ' A' ' 3' ' ' LYS . 30.8 mm -75.84 -25.32 17.17 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 C-N-CA 118.192 -1.403 . . . . 0.0 112.174 -173.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 17.8 pt-20 -88.5 -14.3 38.16 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.526 1.141 . . . . 0.0 111.153 174.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.756 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.96 -53.24 5.21 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.747 1.279 . . . . 0.0 109.947 -177.005 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.729 HD11 ' CD1' ' A' ' 23' ' ' TYR . 11.9 mt -56.28 -48.0 77.5 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 126.477 2.361 . . . . 0.0 108.568 174.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -61.42 -36.58 80.74 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.681 -1.145 . . . . 0.0 113.203 174.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.1 -18.89 65.64 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 124.393 1.058 . . . . 0.0 112.802 -175.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.9 mp -77.21 4.65 10.02 Favored 'General case' 0 CA--C 1.559 1.291 0 O-C-N 124.253 0.97 . . . . 0.0 111.967 176.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.65 26.51 8.54 Favored Glycine 0 C--N 1.358 1.792 0 O-C-N 123.844 0.715 . . . . 0.0 112.673 176.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.4 m-30 -109.54 -146.08 0.4 Allowed 'General case' 0 C--N 1.358 0.951 0 O-C-N 125.112 1.125 . . . . 0.0 108.876 -173.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.7 tp10 -159.76 140.99 12.62 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -176.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -49.49 -19.68 0.6 Allowed 'General case' 0 CA--C 1.556 1.182 0 O-C-N 125.72 1.887 . . . . 0.0 114.197 -174.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.91 -53.9 5.77 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.728 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.16 -21.27 66.75 Favored 'General case' 0 C--N 1.36 1.041 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 178.477 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.684 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -73.55 -58.68 4.4 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 C-N-CA 127.969 2.508 . . . . 0.0 111.265 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.1 mm -56.84 -49.27 79.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 125.215 1.572 . . . . 0.0 110.189 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -66.87 -28.12 68.07 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 125.941 2.025 . . . . 0.0 112.402 177.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -80.41 -12.83 59.52 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.246 0.966 . . . . 0.0 113.222 176.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.729 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.4 t80 -105.48 -25.68 12.23 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 125.027 1.455 . . . . 0.0 109.487 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.62 -42.85 12.4 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.546 1.154 . . . . 0.0 109.418 -177.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.92 -26.16 63.08 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 113.702 -1.59 . . . . 0.0 110.974 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.404 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.3 m -82.3 5.38 20.32 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 113.769 -1.56 . . . . 0.0 112.596 174.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 54.95 63.7 2.04 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.624 0.726 . . . . 0.0 111.216 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.44 63.31 0.18 Allowed 'General case' 0 C--N 1.352 0.68 0 CA-C-N 112.94 -1.936 . . . . 0.0 113.17 175.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.4 -171.32 1.86 Allowed 'General case' 0 C--N 1.349 0.566 0 CA-C-N 112.698 -2.047 . . . . 0.0 107.69 -177.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -119.67 -73.3 0.65 Allowed 'General case' 0 C--N 1.349 0.563 0 O-C-N 124.328 1.018 . . . . 0.0 110.006 -174.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -62.24 -21.51 65.22 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.657 -1.61 . . . . 0.0 111.071 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -79.93 -43.92 21.27 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 125.16 1.538 . . . . 0.0 109.584 -177.309 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.793 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -61.28 -47.44 85.98 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 113.235 -1.802 . . . . 0.0 111.921 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.84 -48.78 77.26 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 125.035 1.459 . . . . 0.0 110.081 174.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.3 -32.96 67.18 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 118.397 -1.321 . . . . 0.0 112.614 178.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -66.02 -47.79 73.26 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 124.18 0.925 . . . . 0.0 110.736 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.793 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -79.87 -20.13 46.62 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.539 -170.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.591 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -92.8 -27.53 17.12 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 125.15 1.531 . . . . 0.0 109.42 -178.575 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--N 1.357 0.918 0 CA-C-N 113.119 -1.855 . . . . 0.0 111.48 -179.468 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -44.34 93.91 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 113.249 -1.796 . . . . 0.0 111.837 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.417 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -75.98 -14.87 60.23 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 113.364 -1.744 . . . . 0.0 111.335 175.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.815 HD11 HD11 ' A' ' 20' ' ' ILE . 30.7 mt -76.59 -21.53 15.0 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 117.643 -1.623 . . . . 0.0 111.636 -174.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 15.5 pt-20 -89.36 -15.69 32.74 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.102 0.876 . . . . 0.0 110.747 174.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.756 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.65 -54.09 4.75 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.722 1.264 . . . . 0.0 109.502 -176.566 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.761 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.8 mt -54.91 -47.76 73.93 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 126.359 2.287 . . . . 0.0 108.649 173.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -64.3 -34.11 77.38 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 118.741 -1.184 . . . . 0.0 112.953 174.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -65.2 -19.19 65.86 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 124.175 0.922 . . . . 0.0 112.771 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.1 mp -77.22 4.95 9.33 Favored 'General case' 0 CA--C 1.558 1.28 0 O-C-N 124.216 0.948 . . . . 0.0 112.08 176.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.41 27.15 9.41 Favored Glycine 0 C--N 1.356 1.662 0 O-C-N 123.71 0.631 . . . . 0.0 112.385 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.7 m-30 -108.12 -144.09 0.38 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -173.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 19' ' ' VAL . 21.3 tt0 -161.5 140.49 9.89 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -176.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -50.49 -20.12 1.06 Allowed 'General case' 0 CA--C 1.552 1.049 0 O-C-N 125.804 1.94 . . . . 0.0 113.806 -172.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -80.83 -56.21 4.28 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.592 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.806 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -62.59 -20.31 64.59 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 118.576 -1.25 . . . . 0.0 111.813 178.796 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.667 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -73.61 -61.39 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.5 0 O-C-N 126.158 2.161 . . . . 0.0 110.932 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.815 HD11 HD11 ' A' ' 6' ' ' ILE . 6.3 mm -56.32 -49.52 76.27 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 O-C-N 125.292 1.62 . . . . 0.0 110.108 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -65.75 -26.45 67.73 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 126.058 2.099 . . . . 0.0 112.061 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -84.37 -11.66 55.9 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.108 0.88 . . . . 0.0 113.17 175.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.761 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -106.4 -16.6 14.51 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 124.583 1.177 . . . . 0.0 109.336 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.55 -41.06 7.12 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 124.282 0.989 . . . . 0.0 109.105 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.33 -25.62 62.48 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.712 1.257 . . . . 0.0 110.942 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -84.03 4.75 28.6 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 114.058 -1.428 . . . . 0.0 112.506 174.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 55.78 60.53 3.23 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 124.239 0.962 . . . . 0.0 110.722 -176.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.47 53.19 0.05 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.561 1.544 . . . . 0.0 113.886 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.81 -25.56 16.58 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.485 -1.688 . . . . 0.0 111.411 -171.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 87.91 -67.75 0.02 OUTLIER 'General case' 0 C--N 1.354 0.789 0 O-C-N 126.086 2.116 . . . . 0.0 110.728 173.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -22.8 66.9 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 113.742 -1.572 . . . . 0.0 111.106 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.77 -31.23 18.48 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 125.04 1.462 . . . . 0.0 109.296 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.837 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -64.71 -44.12 91.26 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 113.623 -1.626 . . . . 0.0 111.88 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.25 76.86 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 125.01 1.444 . . . . 0.0 109.531 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -56.2 -37.18 69.28 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 118.762 -1.175 . . . . 0.0 112.67 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -60.61 -50.08 74.94 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 121.707 0.765 . . . . 0.0 111.144 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -73.4 -29.38 62.56 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.76 -1.564 . . . . 0.0 111.713 -170.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.612 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -88.49 -23.85 23.12 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 125.142 1.526 . . . . 0.0 109.799 -175.594 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.354 0.774 0 CA-C-N 113.453 -1.703 . . . . 0.0 111.171 178.073 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.494 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.3 -42.17 75.8 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 124.753 1.283 . . . . 0.0 111.915 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.424 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -76.28 -16.49 59.78 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 112.981 -1.918 . . . . 0.0 110.187 176.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.765 ' CD1' HD11 ' A' ' 20' ' ' ILE . 34.1 mt -71.8 -43.46 69.41 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.786 -173.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -69.25 -17.15 63.73 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.947 0.78 . . . . 0.0 112.537 176.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.74 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.86 -56.79 3.75 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.583 1.177 . . . . 0.0 110.165 179.434 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.73 HD11 ' CD1' ' A' ' 23' ' ' TYR . 8.9 mt -49.48 -50.38 41.63 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 126.931 2.092 . . . . 0.0 109.393 174.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.681 ' HD2' HG22 ' A' ' 6' ' ' ILE . 53.9 mtpt -63.88 -35.82 81.92 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.599 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.54 -19.62 65.82 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.69 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.0 mp -77.4 4.87 9.89 Favored 'General case' 0 CA--C 1.56 1.337 0 O-C-N 124.081 0.863 . . . . 0.0 111.803 175.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.68 23.27 9.51 Favored Glycine 0 C--N 1.358 1.765 0 O-C-N 123.807 0.692 . . . . 0.0 112.706 176.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.618 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.5 m-30 -107.11 -146.02 0.39 Allowed 'General case' 0 C--N 1.357 0.914 0 O-C-N 125.118 1.128 . . . . 0.0 108.608 -173.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.6 tp10 -161.23 140.55 10.3 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -176.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -44.16 -26.51 0.31 Allowed 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.239 1.816 . . . . 0.0 114.782 -176.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.48 -50.7 8.56 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.732 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.729 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -67.08 -19.24 65.62 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 118.787 -1.165 . . . . 0.0 110.626 177.443 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.829 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -77.67 -58.35 4.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 C-N-CA 126.979 2.112 . . . . 0.0 110.547 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.765 HD11 ' CD1' ' A' ' 6' ' ' ILE . 6.9 mm -59.39 -46.82 92.32 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.534 0 O-C-N 125.567 1.792 . . . . 0.0 110.841 -178.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -68.7 -30.06 68.63 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 125.652 1.845 . . . . 0.0 111.577 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -77.83 -17.85 56.96 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 124.482 1.114 . . . . 0.0 112.608 176.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.73 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -96.82 -28.41 14.26 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 125.219 1.575 . . . . 0.0 108.72 -178.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.93 -38.72 15.34 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 124.036 0.835 . . . . 0.0 110.143 -175.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.47 -26.4 64.55 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 113.655 -1.612 . . . . 0.0 110.57 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -83.47 4.12 29.19 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 114.085 -1.416 . . . . 0.0 113.035 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 60.39 59.47 2.26 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 122.534 1.159 . . . . 0.0 110.827 -175.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt 32.7 56.1 0.41 Allowed 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 112.604 -2.089 . . . . 0.0 113.393 174.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.28 -156.09 0.55 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 113.79 -1.55 . . . . 0.0 107.931 -172.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -128.33 -79.45 0.57 Allowed 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.538 0.524 . . . . 0.0 109.968 -176.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -62.96 -20.32 65.13 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 113.96 -1.473 . . . . 0.0 111.223 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 32' ' ' LEU . 6.2 tp -79.44 -45.49 19.32 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 125.282 1.613 . . . . 0.0 110.092 -177.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.738 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -59.21 -50.96 72.04 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 112.601 -2.091 . . . . 0.0 111.383 176.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.8 -49.69 67.77 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 125.203 1.564 . . . . 0.0 110.169 175.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -54.85 -34.23 62.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 119.188 -1.005 . . . . 0.0 113.307 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -58.89 -57.99 10.62 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 124.698 1.249 . . . . 0.0 109.821 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.829 HD21 ' HA ' ' A' ' 19' ' ' VAL . 2.0 mp -69.16 -31.36 69.95 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.895 1.372 . . . . 0.0 112.437 -169.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.618 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -79.09 -25.63 43.02 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 113.975 -1.466 . . . . 0.0 110.198 -175.215 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.4 t . . . . . 0 C--N 1.352 0.693 0 CA-C-N 112.959 -1.928 . . . . 0.0 112.366 177.165 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -51.61 67.56 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 125.08 1.488 . . . . 0.0 112.209 176.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.43 -19.37 60.98 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.194 -1.821 . . . . 0.0 110.326 175.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.583 ' CD1' HD11 ' A' ' 20' ' ' ILE . 18.8 mt -67.84 -41.85 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 118.777 -1.169 . . . . 0.0 112.137 -175.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -71.34 -17.75 62.42 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.999 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.758 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.45 -55.84 4.43 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 124.82 1.325 . . . . 0.0 110.124 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.751 HD11 ' CD1' ' A' ' 23' ' ' TYR . 12.0 mt -48.23 -50.23 30.23 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.407 2.283 . . . . 0.0 108.985 174.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.494 ' HG3' HG21 ' A' ' 19' ' ' VAL . 31.7 mtpt -65.9 -35.79 81.6 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.763 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.5 -19.32 65.76 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 114.501 -1.227 . . . . 0.0 112.878 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.8 mp -75.92 3.3 10.44 Favored 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.144 0.902 . . . . 0.0 111.771 175.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.97 24.18 8.73 Favored Glycine 0 C--N 1.36 1.863 0 O-C-N 123.82 0.7 . . . . 0.0 112.565 176.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.555 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.5 m-30 -109.21 -145.91 0.4 Allowed 'General case' 0 C--N 1.357 0.919 0 O-C-N 125.244 1.203 . . . . 0.0 108.408 -173.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 19' ' ' VAL . 38.6 tt0 -163.46 140.8 7.42 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 124.255 0.972 . . . . 0.0 108.579 -174.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -39.4 -30.03 0.06 Allowed 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 127.73 2.412 . . . . 0.0 114.853 -176.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -51.58 8.43 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.236 -178.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.784 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.33 -22.3 66.27 Favored 'General case' 0 C--N 1.358 0.96 0 O-C-N 124.488 1.118 . . . . 0.0 110.719 178.346 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.71 ' HA ' HD21 ' A' ' 37' ' ' LEU . 4.0 t -73.93 -56.55 8.93 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 C-N-CA 127.34 2.256 . . . . 0.0 111.062 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.583 HD11 ' CD1' ' A' ' 6' ' ' ILE . 5.2 mm -59.67 -46.74 93.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 125.578 1.798 . . . . 0.0 110.647 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -70.12 -29.2 66.08 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 125.755 1.91 . . . . 0.0 111.096 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -78.85 -13.15 59.96 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.279 0.987 . . . . 0.0 113.264 175.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.751 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.6 t80 -102.13 -28.87 12.07 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 124.864 1.353 . . . . 0.0 108.92 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.43 -40.29 14.5 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 124.16 0.913 . . . . 0.0 109.937 -174.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.5 -26.35 63.56 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 113.68 -1.6 . . . . 0.0 110.78 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 36' ' ' PHE . 1.3 m -81.87 4.21 23.23 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.773 -1.558 . . . . 0.0 112.915 174.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 58.29 60.93 2.45 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 122.388 1.09 . . . . 0.0 111.087 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm 30.37 57.21 0.2 Allowed 'General case' 0 C--N 1.354 0.784 0 C-N-CA 128.174 2.59 . . . . 0.0 113.028 174.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -104.95 -149.15 0.41 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.466 -1.697 . . . . 0.0 107.979 -171.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -135.46 -77.14 0.44 Allowed 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.384 0.612 . . . . 0.0 109.991 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -21.3 65.12 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.544 -1.662 . . . . 0.0 111.335 177.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -80.26 -43.63 21.03 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 125.047 1.467 . . . . 0.0 110.22 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.726 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -61.28 -48.01 83.37 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 112.662 -2.063 . . . . 0.0 111.753 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.38 -47.58 81.3 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 125.324 1.64 . . . . 0.0 109.617 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -57.72 -33.75 68.75 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 118.754 -1.178 . . . . 0.0 112.609 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.45 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 8.0 t80 -60.31 -56.27 23.47 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.398 1.061 . . . . 0.0 109.917 176.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.784 HD23 HD12 ' A' ' 18' ' ' LEU . 1.1 mp -69.0 -29.54 67.76 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.917 1.385 . . . . 0.0 112.587 -170.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.579 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -86.69 -25.26 24.88 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.657 -175.403 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.358 0.965 0 CA-C-N 112.952 -1.931 . . . . 0.0 112.132 179.844 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HA ' HG12 ' A' ' 6' ' ' ILE . 10.2 ptmm? . . . . . 0 CA--C 1.544 0.731 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -35.78 78.42 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 113.996 -1.456 . . . . 0.0 111.377 177.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.415 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -75.31 -15.74 60.47 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 112.942 -1.935 . . . . 0.0 110.845 175.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' A' ' 3' ' ' LYS . 23.5 mm -72.92 -27.93 25.81 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 C-N-CA 118.545 -1.262 . . . . 0.0 112.01 -176.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.98 -14.97 45.84 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.932 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.782 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -86.3 -54.69 4.29 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 125.016 1.447 . . . . 0.0 110.121 -177.653 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.754 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.7 mt -52.76 -50.17 64.05 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 126.134 2.146 . . . . 0.0 109.324 174.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.1 mtmt -63.5 -34.18 77.22 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 176.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.16 -19.68 65.91 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 124.688 1.243 . . . . 0.0 112.719 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.8 mp -77.23 4.96 9.34 Favored 'General case' 0 CA--C 1.557 1.25 0 O-C-N 124.161 0.913 . . . . 0.0 111.97 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.95 13.94 24.11 Favored Glycine 0 C--N 1.359 1.844 0 O-C-N 124.039 0.837 . . . . 0.0 112.836 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 6.0 m-30 -99.46 -147.48 0.34 Allowed 'General case' 0 C--N 1.353 0.723 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -171.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 19' ' ' VAL . 9.1 tp10 -160.01 140.32 11.77 Favored 'General case' 0 C--N 1.347 0.473 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -176.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -43.38 -25.37 0.14 Allowed 'General case' 0 CA--C 1.555 1.147 0 O-C-N 125.962 2.039 . . . . 0.0 114.492 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.84 -53.15 6.73 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.04 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.725 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -67.22 -19.16 65.5 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 124.564 1.165 . . . . 0.0 111.492 178.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.719 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -77.6 -56.86 6.71 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 C-N-CA 128.277 2.631 . . . . 0.0 110.613 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.3 mm -58.01 -51.85 65.64 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 O-C-N 125.071 1.482 . . . . 0.0 109.806 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.24 -25.55 66.95 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 125.852 1.97 . . . . 0.0 112.415 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -80.93 -17.16 51.46 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 176.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.754 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -101.69 -22.27 14.47 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 124.929 1.393 . . . . 0.0 109.421 -178.5 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -93.24 -38.25 11.63 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 123.87 0.731 . . . . 0.0 109.899 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.49 -26.48 63.63 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 124.913 1.383 . . . . 0.0 111.031 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -82.97 4.3 26.46 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.435 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 56.77 59.0 3.73 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 122.015 0.912 . . . . 0.0 111.696 -175.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HZ3' ' HG3' ' A' ' 28' ' ' LYS . 1.3 mmmm 30.86 51.21 0.11 Allowed 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 112.593 -2.094 . . . . 0.0 113.445 173.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.59 -26.69 15.67 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 113.302 -1.772 . . . . 0.0 111.334 -169.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 89.83 -67.7 0.01 OUTLIER 'General case' 0 C--N 1.353 0.735 0 O-C-N 125.569 1.793 . . . . 0.0 111.696 173.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -22.93 67.09 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.035 -1.893 . . . . 0.0 110.987 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -33.57 18.43 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 125.03 1.456 . . . . 0.0 109.434 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.848 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -64.43 -43.59 93.85 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 113.602 -1.635 . . . . 0.0 111.627 -178.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.93 -47.29 80.98 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 113.965 -1.47 . . . . 0.0 109.83 173.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -56.99 -35.23 68.95 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 118.637 -1.225 . . . . 0.0 112.834 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -62.0 -51.83 66.47 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 124.044 0.84 . . . . 0.0 110.871 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.848 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -72.66 -29.07 63.12 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 113.496 -1.684 . . . . 0.0 111.937 -170.411 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -87.88 -25.54 23.21 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.112 -1.404 . . . . 0.0 110.496 -175.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 C--N 1.355 0.83 0 CA-C-N 113.076 -1.874 . . . . 0.0 111.164 177.135 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.543 0.699 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -45.58 78.16 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 113.796 -1.547 . . . . 0.0 111.034 -178.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.16 -20.03 57.93 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 112.458 -2.156 . . . . 0.0 110.331 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.711 HG23 HG11 ' A' ' 19' ' ' VAL . 34.8 mt -67.8 -41.93 85.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 118.415 -1.314 . . . . 0.0 111.087 -174.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.96 -17.67 62.65 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 119.865 -0.734 . . . . 0.0 112.868 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.734 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.96 -55.66 4.45 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.606 1.191 . . . . 0.0 110.053 -178.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.762 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.1 mt -50.0 -49.66 49.91 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.376 2.27 . . . . 0.0 109.107 174.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.571 ' HG3' HG21 ' A' ' 19' ' ' VAL . 53.0 mtpt -64.42 -35.2 80.14 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.742 177.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.77 -19.23 65.71 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.809 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.1 mp -77.89 5.11 10.33 Favored 'General case' 0 CA--C 1.562 1.408 0 O-C-N 124.143 0.902 . . . . 0.0 111.83 175.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.17 24.99 8.57 Favored Glycine 0 C--N 1.359 1.858 0 O-C-N 123.646 0.591 . . . . 0.0 112.868 175.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.558 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.0 m-30 -109.46 -145.98 0.4 Allowed 'General case' 0 C--N 1.357 0.904 0 O-C-N 125.019 1.07 . . . . 0.0 108.584 -173.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 19' ' ' VAL . 5.8 tt0 -162.61 141.21 8.76 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 124.209 0.943 . . . . 0.0 108.872 -175.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -45.49 -25.78 0.48 Allowed 'General case' 0 CA--C 1.555 1.152 0 O-C-N 125.687 1.867 . . . . 0.0 114.619 -172.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -78.68 -53.52 7.06 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.917 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.735 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.84 -21.89 66.01 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 124.413 1.071 . . . . 0.0 111.443 -179.597 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.813 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -72.12 -57.92 6.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 C-N-CA 127.828 2.451 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.1 mt -56.61 -51.68 62.93 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 O-C-N 125.381 1.676 . . . . 0.0 110.288 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -65.4 -25.76 67.69 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 125.529 1.768 . . . . 0.0 112.312 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -81.47 -15.5 54.83 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 124.418 1.074 . . . . 0.0 112.517 177.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.762 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.5 t80 -103.21 -29.01 11.56 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 125.001 1.438 . . . . 0.0 109.5 -178.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.91 -42.57 12.41 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 124.799 1.312 . . . . 0.0 109.526 -172.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.88 -25.85 62.98 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 113.392 -1.731 . . . . 0.0 110.535 175.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.427 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -78.15 -0.93 30.22 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 113.569 -1.651 . . . . 0.0 113.26 174.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 63.12 61.06 1.12 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-O 122.051 0.929 . . . . 0.0 110.817 -176.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.04 42.67 0.71 Allowed 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 112.903 -1.953 . . . . 0.0 113.504 174.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.437 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 1.4 t-20 -92.35 -151.99 0.3 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 113.107 -1.86 . . . . 0.0 107.818 -172.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -142.86 -70.78 0.32 Allowed 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 118.888 0.767 . . . . 0.0 109.254 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -23.67 67.51 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 113.088 -1.869 . . . . 0.0 110.927 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.4 -43.26 33.25 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 125.154 1.533 . . . . 0.0 108.942 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.76 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -63.43 -45.35 91.32 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 113.025 -1.898 . . . . 0.0 111.656 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.42 72.48 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 125.496 1.747 . . . . 0.0 109.474 172.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -35.61 65.77 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 118.869 -1.133 . . . . 0.0 112.518 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.91 -53.83 48.05 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 123.995 0.809 . . . . 0.0 109.958 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.813 HD21 ' HA ' ' A' ' 19' ' ' VAL . 1.2 mp -75.6 -14.24 60.37 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 114.031 -1.44 . . . . 0.0 112.563 -171.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.558 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -95.13 -25.79 16.28 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 124.186 0.929 . . . . 0.0 108.572 178.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.358 0.946 0 CA-C-N 112.772 -2.013 . . . . 0.0 111.96 178.946 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.88 -49.83 73.27 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 124.866 1.354 . . . . 0.0 111.824 175.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.421 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -71.63 -17.97 62.23 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.566 177.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.559 HG23 HG11 ' A' ' 19' ' ' VAL . 34.7 mt -65.47 -45.56 92.5 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 C-N-CA 119.511 -0.875 . . . . 0.0 111.71 -175.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.7 -18.64 63.55 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 124.807 1.317 . . . . 0.0 111.903 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.797 ' O ' HD12 ' A' ' 12' ' ' LEU . 1.1 ttm180 -79.98 -53.34 6.82 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 125.103 1.502 . . . . 0.0 110.226 -177.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.7 mt -52.6 -45.19 66.44 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 126.465 2.353 . . . . 0.0 108.411 173.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -34.97 78.12 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.802 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.29 -18.04 65.03 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 124.881 1.363 . . . . 0.0 112.78 -178.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.3 mp -77.06 4.07 10.99 Favored 'General case' 0 CA--C 1.559 1.314 0 O-C-N 124.262 0.976 . . . . 0.0 111.879 175.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.38 25.14 8.96 Favored Glycine 0 C--N 1.358 1.803 0 O-C-N 124.03 0.831 . . . . 0.0 112.946 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.601 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.4 m-30 -108.58 -143.14 0.38 Allowed 'General case' 0 C--N 1.358 0.978 0 O-C-N 125.067 1.098 . . . . 0.0 109.291 -172.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.4 tt0 -158.32 136.61 10.86 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 124.18 0.925 . . . . 0.0 108.658 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -43.78 -25.25 0.17 Allowed 'General case' 0 CA--C 1.557 1.225 0 O-C-N 125.704 1.877 . . . . 0.0 114.034 -176.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.0 m -79.13 -52.77 7.74 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.796 0.685 . . . . 0.0 111.664 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.722 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.57 -20.11 65.94 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 118.775 -1.17 . . . . 0.0 110.886 176.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.76 ' HA ' HD21 ' A' ' 37' ' ' LEU . 4.4 t -73.51 -54.49 15.26 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 C-N-CA 126.785 2.034 . . . . 0.0 110.481 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.5 mt -60.42 -54.2 38.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 O-C-N 125.619 1.825 . . . . 0.0 109.679 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -17.87 61.76 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 125.23 1.581 . . . . 0.0 112.836 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -91.5 -15.65 28.44 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 124.426 1.079 . . . . 0.0 113.126 176.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.808 ' CD1' HD11 ' A' ' 9' ' ' LEU . 2.1 t80 -111.09 -6.54 14.6 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 125.268 1.605 . . . . 0.0 110.404 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.24 -41.56 5.3 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.52 -27.36 63.14 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 113.077 -1.874 . . . . 0.0 110.867 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.47 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.4 m -82.6 4.36 25.03 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.532 -1.667 . . . . 0.0 112.428 174.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 56.53 60.9 2.88 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 121.482 0.658 . . . . 0.0 111.418 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.36 57.88 0.66 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 113.321 -1.763 . . . . 0.0 113.045 173.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.46 -160.26 0.77 Allowed 'General case' 0 C--N 1.352 0.693 0 CA-C-N 113.039 -1.891 . . . . 0.0 107.978 -176.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -125.37 -76.36 0.59 Allowed 'General case' 0 C--O 1.219 -0.522 0 O-C-N 123.83 0.706 . . . . 0.0 110.225 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.77 -22.22 63.85 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 113.109 -1.859 . . . . 0.0 111.152 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.47 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.54 -45.86 24.13 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 125.363 1.664 . . . . 0.0 109.618 -177.625 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.803 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -65.65 -44.56 85.96 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 113.351 -1.749 . . . . 0.0 111.499 -176.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.13 78.01 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 125.317 1.636 . . . . 0.0 110.025 173.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.99 -33.78 69.28 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 117.967 -1.493 . . . . 0.0 112.721 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.08 -51.62 65.91 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.803 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -73.16 -29.63 63.0 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 113.661 -1.609 . . . . 0.0 112.049 -170.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.601 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -85.22 -25.65 27.2 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.055 -175.768 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.356 0.857 0 CA-C-N 113.249 -1.796 . . . . 0.0 111.63 179.064 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 6' ' ' ILE . 6.1 mttm . . . . . 0 CA--C 1.543 0.702 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.2 -42.09 89.3 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 113.299 -1.773 . . . . 0.0 111.419 177.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.405 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -74.25 -17.96 60.8 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 113.324 -1.762 . . . . 0.0 110.656 175.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.829 HD11 HD11 ' A' ' 20' ' ' ILE . 71.7 mt -67.18 -48.74 77.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 C-N-CA 118.081 -1.448 . . . . 0.0 111.456 -172.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.63 -15.47 63.2 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 125.164 1.54 . . . . 0.0 112.056 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.752 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.57 -54.08 6.24 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.797 1.31 . . . . 0.0 110.599 178.671 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.696 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.3 mt -55.94 -44.8 78.73 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 126.272 2.232 . . . . 0.0 108.385 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -34.73 78.97 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.579 -1.191 . . . . 0.0 112.618 176.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.2 -18.57 65.31 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 114.563 -1.199 . . . . 0.0 112.72 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.8 mp -78.27 4.85 11.71 Favored 'General case' 0 CA--C 1.559 1.299 0 O-C-N 124.15 0.906 . . . . 0.0 111.771 175.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.19 24.24 9.81 Favored Glycine 0 C--N 1.36 1.881 0 O-C-N 123.782 0.677 . . . . 0.0 113.218 176.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.599 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.6 m-30 -106.09 -142.79 0.37 Allowed 'General case' 0 C--N 1.359 1.017 0 O-C-N 124.786 0.933 . . . . 0.0 109.424 -172.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 19' ' ' VAL . 6.9 tp10 -157.18 136.89 12.3 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -47.18 -21.82 0.3 Allowed 'General case' 0 CA--C 1.557 1.23 0 O-C-N 125.376 1.672 . . . . 0.0 114.384 -176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -52.02 7.94 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 123.48 0.488 . . . . 0.0 111.363 177.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.707 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -67.59 -19.68 65.27 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 124.283 0.989 . . . . 0.0 111.335 177.777 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.719 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.4 t -72.55 -58.34 5.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 O-C-N 125.916 2.01 . . . . 0.0 110.057 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.829 HD11 HD11 ' A' ' 6' ' ' ILE . 5.1 mm -57.6 -50.02 78.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 O-C-N 125.127 1.517 . . . . 0.0 111.485 -178.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -67.26 -28.46 68.05 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 125.513 1.758 . . . . 0.0 111.928 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -79.52 -16.45 55.98 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.406 1.066 . . . . 0.0 112.653 175.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.696 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -98.99 -26.33 14.28 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 125.077 1.486 . . . . 0.0 109.376 -178.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.41 -38.94 12.96 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 124.124 0.89 . . . . 0.0 109.976 -175.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.52 64.53 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.741 176.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.547 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.2 m -83.15 4.65 25.68 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 113.965 -1.471 . . . . 0.0 112.995 175.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 57.36 59.24 3.42 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 122.375 1.083 . . . . 0.0 111.425 -175.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm 34.18 56.2 0.63 Allowed 'General case' 0 C--N 1.35 0.615 0 CA-C-N 112.124 -2.307 . . . . 0.0 112.676 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -103.03 -144.58 0.36 Allowed 'General case' 0 C--N 1.356 0.851 0 CA-C-N 112.841 -1.981 . . . . 0.0 107.527 -173.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -143.05 -74.73 0.27 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-O 121.436 0.636 . . . . 0.0 109.433 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -22.63 66.21 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.589 -1.642 . . . . 0.0 111.165 177.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -78.4 -46.31 20.2 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 125.072 1.482 . . . . 0.0 109.55 -178.259 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.794 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -59.76 -47.93 83.7 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.962 -1.926 . . . . 0.0 111.854 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.82 -47.91 79.21 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 124.953 1.408 . . . . 0.0 109.752 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.59 -36.79 69.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 117.747 -1.581 . . . . 0.0 112.896 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -60.12 -54.46 45.64 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 123.829 0.705 . . . . 0.0 110.47 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -70.8 -26.86 63.51 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 118.677 -1.209 . . . . 0.0 112.225 -169.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.599 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -87.37 -25.83 23.65 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.443 -176.2 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.358 0.946 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.101 179.784 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' A' ' 6' ' ' ILE . 8.8 pttt . . . . . 0 CA--C 1.544 0.72 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -39.75 74.4 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.786 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.97 -16.83 59.22 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.013 -1.903 . . . . 0.0 110.377 173.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.808 HD11 HD11 ' A' ' 20' ' ' ILE . 37.1 mt -75.3 -24.53 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 118.838 -1.145 . . . . 0.0 112.025 -172.535 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -88.66 -15.7 34.24 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.22 0.95 . . . . 0.0 110.505 175.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.733 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -84.39 -54.87 4.47 Favored 'General case' 0 C--N 1.356 0.861 0 O-C-N 124.626 1.204 . . . . 0.0 110.378 -179.868 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.728 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.6 mt -53.44 -49.19 67.88 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 126.348 2.28 . . . . 0.0 108.835 173.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -62.49 -34.85 77.67 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 119.01 -1.076 . . . . 0.0 113.15 174.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.9 -18.98 65.71 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 124.271 0.982 . . . . 0.0 112.877 -175.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.733 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.3 mp -77.61 4.4 11.44 Favored 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.162 0.914 . . . . 0.0 111.932 175.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.94 27.05 8.06 Favored Glycine 0 C--N 1.359 1.817 0 O-C-N 123.683 0.614 . . . . 0.0 112.8 175.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.605 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.2 m-30 -108.42 -145.78 0.4 Allowed 'General case' 0 C--N 1.358 0.938 0 O-C-N 125.095 1.115 . . . . 0.0 108.839 -173.338 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.524 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -158.51 140.89 14.22 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -176.419 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -51.76 -19.06 1.46 Allowed 'General case' 0 CA--C 1.56 1.347 0 O-C-N 125.187 1.554 . . . . 0.0 113.905 -174.183 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -82.11 -52.54 6.9 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 123.405 0.441 . . . . 0.0 110.91 177.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.712 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.05 -21.05 66.36 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 118.959 -1.097 . . . . 0.0 110.815 178.098 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.718 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.4 t -74.07 -59.41 3.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 C-N-CA 127.068 2.147 . . . . 0.0 110.717 -179.385 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.808 HD11 HD11 ' A' ' 6' ' ' ILE . 5.4 mm -56.98 -50.54 75.84 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 125.278 1.611 . . . . 0.0 111.082 -178.053 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -67.42 -25.86 66.13 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 125.88 1.987 . . . . 0.0 112.264 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -80.75 -15.96 55.11 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 124.39 1.056 . . . . 0.0 112.556 175.106 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.728 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.5 t80 -104.04 -21.67 13.56 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 125.055 1.472 . . . . 0.0 109.681 -177.474 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.76 -41.35 11.3 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 124.407 1.067 . . . . 0.0 108.817 -177.68 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.13 -25.9 62.78 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-N 113.904 -1.498 . . . . 0.0 111.339 178.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.61 3.51 28.49 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.947 1.404 . . . . 0.0 112.79 175.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 58.97 60.75 2.34 Favored 'General case' 0 C--N 1.359 0.987 0 CA-C-O 121.939 0.876 . . . . 0.0 110.961 -175.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.93 54.3 0.55 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 113.458 -1.701 . . . . 0.0 114.071 175.704 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -100.65 -145.95 0.34 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.345 -1.752 . . . . 0.0 107.543 -174.079 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -145.79 -71.48 0.25 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-O 121.459 0.647 . . . . 0.0 109.647 -175.447 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -23.31 67.38 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 113.7 -1.591 . . . . 0.0 111.093 177.046 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -43.84 19.28 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.849 1.343 . . . . 0.0 109.057 -177.582 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.756 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -58.5 -49.22 78.17 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 112.821 -1.99 . . . . 0.0 111.878 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.65 -49.62 74.5 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 125.008 1.443 . . . . 0.0 109.955 174.553 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.97 -32.87 64.27 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 119.022 -1.071 . . . . 0.0 113.406 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -63.52 -55.4 24.26 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 124.262 0.976 . . . . 0.0 110.009 178.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -70.66 -29.95 66.43 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 113.765 -1.561 . . . . 0.0 112.03 -169.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.605 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.83 -27.04 31.12 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 125.133 1.52 . . . . 0.0 110.033 -175.673 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.356 0.868 0 CA-C-N 113.478 -1.692 . . . . 0.0 111.252 177.322 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 CA--C 1.546 0.819 0 CA-C-O 120.972 0.415 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.27 1.89 10.8 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 125.044 1.465 . . . . 0.0 112.064 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.452 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -51.74 -21.32 2.66 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 -178.268 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -65.86 -47.79 73.74 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 114.094 -1.412 . . . . 0.0 111.494 177.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.61 -17.07 61.72 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 112.617 -2.083 . . . . 0.0 110.89 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.764 HG23 HG11 ' A' ' 19' ' ' VAL . 59.9 mt -64.55 -47.24 89.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 C-N-CA 118.197 -1.401 . . . . 0.0 111.481 -175.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.6 -18.56 65.02 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 125.077 1.486 . . . . 0.0 112.506 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.776 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -79.64 -53.43 6.85 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.103 -175.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.789 HD11 ' CD1' ' A' ' 23' ' ' TYR . 8.4 mt -53.8 -44.38 70.1 Favored 'General case' 0 CA--C 1.554 1.102 0 O-C-N 126.385 2.303 . . . . 0.0 109.035 173.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -34.59 77.63 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 114.226 -1.352 . . . . 0.0 112.293 176.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.84 -18.03 64.69 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 114.666 -1.152 . . . . 0.0 112.842 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.8 mp -77.12 4.2 10.84 Favored 'General case' 0 CA--C 1.559 1.306 0 O-C-N 124.151 0.907 . . . . 0.0 111.87 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.97 25.15 9.22 Favored Glycine 0 C--N 1.357 1.739 0 O-C-N 123.865 0.728 . . . . 0.0 112.903 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.552 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 11.7 m-30 -109.15 -140.68 0.38 Allowed 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.735 0.903 . . . . 0.0 108.969 -171.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 19' ' ' VAL . 24.3 tt0 -161.49 135.99 7.09 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 124.204 0.94 . . . . 0.0 108.753 -176.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -48.1 -19.3 0.26 Allowed 'General case' 0 CA--C 1.56 1.344 0 O-C-N 125.701 1.876 . . . . 0.0 113.934 -174.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -80.96 -54.52 5.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.769 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.711 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.04 -22.16 66.94 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 119.196 -1.002 . . . . 0.0 111.326 178.136 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.764 HG11 HG23 ' A' ' 6' ' ' ILE . 2.8 t -69.74 -57.78 7.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.586 0 C-N-CA 127.179 2.192 . . . . 0.0 110.667 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.9 mt -56.81 -50.82 73.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 125.343 1.652 . . . . 0.0 110.366 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.16 -21.68 65.8 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 125.323 1.639 . . . . 0.0 112.111 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -88.04 -9.22 54.04 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 124.238 0.961 . . . . 0.0 113.276 175.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.789 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.6 t80 -117.74 -2.33 11.41 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 124.747 1.279 . . . . 0.0 110.346 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -111.28 -39.69 4.64 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.76 -26.93 63.57 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 113.851 -1.522 . . . . 0.0 110.519 175.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 36' ' ' PHE . 1.4 m -83.95 7.09 19.43 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 113.508 -1.678 . . . . 0.0 113.037 174.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 56.97 54.2 7.26 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 122.226 1.012 . . . . 0.0 111.249 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm 37.86 58.56 1.41 Allowed 'General case' 0 C--N 1.35 0.63 0 CA-C-N 112.945 -1.934 . . . . 0.0 113.338 170.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.85 -146.95 0.4 Allowed 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 113.279 -1.782 . . . . 0.0 107.715 -172.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -135.23 -76.46 0.45 Allowed 'General case' 0 C--N 1.355 0.818 0 C-N-CA 119.707 -0.797 . . . . 0.0 110.077 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -23.41 64.76 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.508 -1.678 . . . . 0.0 111.085 177.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -45.47 35.78 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 125.13 1.519 . . . . 0.0 109.67 -177.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.758 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -62.79 -47.82 81.79 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 113.431 -1.713 . . . . 0.0 111.888 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.99 74.56 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 125.075 1.485 . . . . 0.0 110.074 174.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.87 -32.97 68.2 Favored 'General case' 0 C--O 1.214 -0.811 0 C-N-CA 118.47 -1.292 . . . . 0.0 112.63 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.402 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 5.6 t80 -62.3 -55.2 30.53 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 124.278 0.986 . . . . 0.0 109.93 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -69.32 -29.2 66.99 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 114.306 -1.315 . . . . 0.0 112.14 -171.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -85.94 -25.22 26.2 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.723 -175.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.9 t -89.38 -6.45 56.61 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.47 -1.695 . . . . 0.0 112.184 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -77.56 87.51 3.88 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 124.507 1.129 . . . . 0.0 109.003 173.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -49.23 125.01 10.0 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 111.951 -2.386 . . . . 0.0 111.161 171.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -173.71 110.46 0.17 Allowed 'General case' 0 C--N 1.353 0.749 0 CA-C-N 111.92 -2.4 . . . . 0.0 108.776 -173.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -110.69 -149.65 0.45 Allowed 'General case' 0 C--N 1.351 0.634 0 CA-C-N 113.498 -1.683 . . . . 0.0 108.955 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -42.41 -55.7 3.31 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 125.038 1.461 . . . . 0.0 112.798 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.833 0 CA-C-N 113.751 -1.568 . . . . 0.0 109.457 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 . . . . . 0 C--O 1.221 -0.396 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -134.42 0.25 3.03 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 113.31 -1.768 . . . . 0.0 113.103 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.432 ' HA ' HD12 ' A' ' 6' ' ' ILE . 5.0 ptmt -53.85 -20.42 5.84 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 125.289 1.618 . . . . 0.0 114.608 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.91 -46.27 72.05 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.402 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -70.88 -17.03 62.73 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 116.877 -1.929 . . . . 0.0 110.64 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.731 HD11 HD11 ' A' ' 20' ' ' ILE . 30.6 mt -71.84 -33.47 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 119.156 -1.017 . . . . 0.0 111.57 -173.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 9.7 pt-20 -78.61 -17.75 55.59 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 124.286 0.991 . . . . 0.0 110.959 176.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.759 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -82.6 -54.21 5.34 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 124.858 1.349 . . . . 0.0 110.192 -177.238 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.758 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.4 mt -52.94 -49.78 65.33 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 126.567 2.417 . . . . 0.0 108.693 173.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -63.97 -33.81 76.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 118.972 -1.091 . . . . 0.0 113.09 174.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.08 -18.95 65.68 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 124.351 1.032 . . . . 0.0 112.721 -176.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.3 mp -77.73 5.13 9.98 Favored 'General case' 0 CA--C 1.562 1.413 0 O-C-N 124.224 0.952 . . . . 0.0 111.886 175.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.63 27.33 9.15 Favored Glycine 0 C--N 1.358 1.796 0 O-C-N 123.722 0.639 . . . . 0.0 112.62 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 11.9 m-30 -108.42 -144.82 0.39 Allowed 'General case' 0 C--N 1.358 0.935 0 O-C-N 125.134 1.137 . . . . 0.0 108.671 -173.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.7 tt0 -162.24 141.87 9.67 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.409 1.068 . . . . 0.0 108.923 -175.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.83 -24.99 0.45 Allowed 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 127.256 2.223 . . . . 0.0 114.39 -173.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.06 -50.37 8.03 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.435 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.816 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.91 -20.75 66.33 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 118.784 -1.166 . . . . 0.0 110.513 176.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.633 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -74.86 -60.2 2.6 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.619 0 C-N-CA 127.398 2.279 . . . . 0.0 111.095 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.731 HD11 HD11 ' A' ' 6' ' ' ILE . 5.9 mm -59.36 -46.61 92.42 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.634 0 O-C-N 125.509 1.756 . . . . 0.0 110.805 -178.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.82 -28.98 67.23 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 125.737 1.898 . . . . 0.0 111.493 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -78.19 -17.23 57.06 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 124.536 1.148 . . . . 0.0 112.906 175.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.758 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.4 t80 -100.12 -25.45 14.28 Favored 'General case' 0 C--O 1.219 -0.553 0 O-C-N 125.072 1.482 . . . . 0.0 109.071 -177.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.37 -37.92 13.67 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 123.996 0.81 . . . . 0.0 109.95 -175.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.32 -25.22 62.32 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 113.854 -1.521 . . . . 0.0 110.769 176.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.468 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.4 m -84.17 8.68 14.88 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 113.824 -1.535 . . . . 0.0 112.452 173.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 55.47 57.93 4.98 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 122.376 1.084 . . . . 0.0 111.308 -177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm 33.88 59.14 0.57 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 112.594 -2.093 . . . . 0.0 113.921 174.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -104.87 -143.12 0.37 Allowed 'General case' 0 C--N 1.356 0.879 0 CA-C-N 114.242 -1.344 . . . . 0.0 108.639 -170.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -140.61 -75.59 0.33 Allowed 'General case' 0 C--N 1.352 0.705 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.194 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -23.7 64.72 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.217 -1.811 . . . . 0.0 111.052 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -76.82 -45.8 27.26 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 125.194 1.558 . . . . 0.0 109.558 -176.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.759 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -61.63 -47.19 86.55 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 113.396 -1.729 . . . . 0.0 111.891 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.82 -48.6 75.13 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 125.195 1.559 . . . . 0.0 109.72 174.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -58.02 -33.56 69.08 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 118.527 -1.269 . . . . 0.0 112.691 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -63.03 -53.34 55.43 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 124.37 1.044 . . . . 0.0 109.785 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.816 HD23 HD12 ' A' ' 18' ' ' LEU . 1.1 mt -70.23 -30.4 67.47 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 113.678 -1.601 . . . . 0.0 112.3 -170.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.568 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -86.7 -26.53 24.22 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 113.821 -1.536 . . . . 0.0 109.725 -175.568 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.9 t -79.11 -16.36 56.83 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 113.067 -1.879 . . . . 0.0 112.037 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.523 ' OE1' HD13 ' A' ' 18' ' ' LEU . 35.9 mt-30 -57.95 100.77 0.06 Allowed 'General case' 0 C--N 1.357 0.9 0 O-C-N 124.987 1.429 . . . . 0.0 110.903 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -64.02 134.63 55.37 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 111.571 -2.558 . . . . 0.0 108.891 -176.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -173.96 123.18 0.33 Allowed 'General case' 0 C--N 1.347 0.457 0 CA-C-N 112.879 -1.964 . . . . 0.0 107.595 -172.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -96.08 -59.33 1.87 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 112.898 -1.955 . . . . 0.0 108.688 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 174.05 -89.46 0.0 OUTLIER 'General case' 0 C--N 1.356 0.858 0 O-C-N 125.97 2.044 . . . . 0.0 108.287 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 C--N 1.354 0.786 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.226 -174.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 . . . . . 0 CA--C 1.535 0.394 0 CA-C-O 120.924 0.392 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.458 ' OE2' ' HB3' ' A' ' 5' ' ' ALA . 1.8 tm-20 -96.39 -15.03 22.05 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 125.009 1.443 . . . . 0.0 111.021 -178.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.427 ' HA ' HD12 ' A' ' 6' ' ' ILE . 1.8 pttm -48.0 -22.83 0.66 Allowed 'General case' 0 C--N 1.362 1.131 0 O-C-N 125.025 1.453 . . . . 0.0 114.673 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -48.87 74.13 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 113.429 -1.714 . . . . 0.0 110.99 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.458 ' HB3' ' OE2' ' A' ' 2' ' ' GLU . . . -75.64 -17.08 60.11 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-N 112.502 -2.135 . . . . 0.0 110.834 175.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.718 ' CD1' HD11 ' A' ' 20' ' ' ILE . 27.0 mt -70.83 -41.48 77.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 C-N-CA 117.989 -1.484 . . . . 0.0 111.411 -177.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -69.83 -18.1 63.43 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 117.965 -1.494 . . . . 0.0 112.385 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.779 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -82.45 -55.52 4.44 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 124.985 1.428 . . . . 0.0 109.925 -176.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.749 HD11 ' CD1' ' A' ' 23' ' ' TYR . 11.4 mt -49.71 -50.6 43.34 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 126.348 2.28 . . . . 0.0 109.187 174.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.597 ' HD2' HG22 ' A' ' 6' ' ' ILE . 53.9 mtpt -63.77 -35.81 81.81 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.851 177.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.24 -19.76 65.92 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 124.762 1.289 . . . . 0.0 112.826 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.8 mp -77.28 4.82 9.75 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 124.262 0.976 . . . . 0.0 111.791 175.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.7 23.07 9.63 Favored Glycine 0 C--N 1.357 1.732 0 O-C-N 123.946 0.779 . . . . 0.0 112.719 176.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.613 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 6.6 m-30 -107.56 -146.33 0.4 Allowed 'General case' 0 C--N 1.357 0.923 0 O-C-N 125.191 1.171 . . . . 0.0 108.566 -173.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.512 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.4 tp10 -163.42 142.11 8.08 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.385 1.053 . . . . 0.0 108.527 -176.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -45.69 -24.69 0.39 Allowed 'General case' 0 CA--C 1.555 1.137 0 O-C-N 126.137 2.148 . . . . 0.0 114.526 -173.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -52.9 7.14 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 123.67 0.607 . . . . 0.0 110.772 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.744 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -69.13 -15.73 63.49 Favored 'General case' 0 C--N 1.357 0.931 0 O-C-N 124.686 1.241 . . . . 0.0 111.365 179.036 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.706 HG11 HG23 ' A' ' 6' ' ' ILE . 2.6 t -78.93 -58.38 4.1 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.621 0 O-C-N 126.059 2.099 . . . . 0.0 109.994 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.718 HD11 ' CD1' ' A' ' 6' ' ' ILE . 6.5 mm -57.75 -49.91 79.29 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.717 0 O-C-N 125.604 1.815 . . . . 0.0 111.122 -178.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -67.97 -29.27 68.27 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 125.4 1.688 . . . . 0.0 111.681 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -77.3 -18.91 57.13 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 124.527 1.142 . . . . 0.0 112.827 177.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.749 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.5 t80 -97.99 -27.36 14.28 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 125.352 1.657 . . . . 0.0 109.3 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.12 -39.14 14.8 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 124.209 0.943 . . . . 0.0 110.046 -175.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.04 -26.24 64.88 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 125.301 1.626 . . . . 0.0 110.592 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.614 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -83.5 4.74 26.63 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 113.757 -1.565 . . . . 0.0 113.046 175.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 57.01 61.97 2.4 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-O 122.195 0.997 . . . . 0.0 111.151 -175.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm 29.21 60.38 0.15 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.691 2.396 . . . . 0.0 112.953 174.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -104.66 -142.71 0.37 Allowed 'General case' 0 C--N 1.356 0.848 0 CA-C-N 113.534 -1.667 . . . . 0.0 108.102 -171.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -140.5 -75.89 0.33 Allowed 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.861 0.726 . . . . 0.0 110.306 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -21.8 62.79 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 113.257 -1.792 . . . . 0.0 111.267 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.614 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -78.23 -48.35 15.98 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 125.421 1.701 . . . . 0.0 109.736 -178.732 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.797 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -60.8 -45.27 95.07 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 113.533 -1.667 . . . . 0.0 111.695 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.07 -48.23 79.08 Favored 'General case' 0 C--O 1.209 -1.035 0 O-C-N 125.231 1.582 . . . . 0.0 109.8 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -55.65 -36.91 67.56 Favored 'General case' 0 C--O 1.204 -1.311 0 C-N-CA 117.951 -1.5 . . . . 0.0 112.915 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -59.56 -54.44 46.55 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 124.399 1.062 . . . . 0.0 110.916 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -71.33 -28.98 64.47 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 113.806 -1.543 . . . . 0.0 111.731 -170.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.613 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -85.09 -25.91 27.26 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 113.952 -1.476 . . . . 0.0 110.202 -176.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.1 m -74.58 -22.4 58.99 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 113.416 -1.72 . . . . 0.0 111.394 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -83.53 76.99 9.91 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 125.196 1.56 . . . . 0.0 109.916 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.05 126.73 7.81 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 112.89 -1.959 . . . . 0.0 111.68 170.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.2 t80 177.5 81.86 0.01 OUTLIER 'General case' 0 C--N 1.354 0.804 0 CA-C-N 111.947 -2.388 . . . . 0.0 108.682 -174.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.1 t70 177.73 -80.69 0.0 OUTLIER 'General case' 0 C--N 1.355 0.806 0 O-C-N 125.234 1.583 . . . . 0.0 108.265 175.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.12 105.21 0.18 Allowed 'General case' 0 C--N 1.353 0.742 0 CA-C-N 113.339 -1.755 . . . . 0.0 107.534 -174.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.74 0 CA-C-N 113.107 -1.86 . . . . 0.0 108.296 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 . . . . . 0 CA--C 1.541 0.629 0 CA-C-O 121.337 0.589 . . . . 0.0 112.149 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -106.58 -7.18 17.55 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.679 -1.6 . . . . 0.0 111.255 -175.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.435 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -52.84 -19.61 2.65 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.991 1.432 . . . . 0.0 114.416 178.312 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.61 -44.45 82.07 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 124.812 1.32 . . . . 0.0 112.034 176.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.416 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -76.27 -14.33 60.12 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 113.256 -1.793 . . . . 0.0 111.005 176.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.767 ' CD1' HD11 ' A' ' 20' ' ' ILE . 30.0 mt -75.2 -27.13 19.34 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 C-N-CA 118.205 -1.398 . . . . 0.0 111.71 -175.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -84.01 -16.15 45.04 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 124.151 0.907 . . . . 0.0 111.268 175.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.797 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.37 -55.16 4.15 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 124.751 1.282 . . . . 0.0 110.213 -177.585 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.738 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.9 mt -51.57 -49.97 61.03 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 126.49 2.369 . . . . 0.0 108.92 172.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -60.17 -38.27 82.67 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.842 -1.072 . . . . 0.0 113.307 174.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.71 -19.44 65.9 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 124.378 1.049 . . . . 0.0 113.011 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.1 mp -76.92 3.99 10.91 Favored 'General case' 0 CA--C 1.559 1.321 0 O-C-N 124.178 0.924 . . . . 0.0 111.993 176.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.93 24.2 9.29 Favored Glycine 0 C--N 1.359 1.834 0 O-C-N 123.852 0.72 . . . . 0.0 112.756 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.7 m-30 -106.61 -144.79 0.38 Allowed 'General case' 0 C--N 1.357 0.932 0 O-C-N 125.186 1.168 . . . . 0.0 108.768 -174.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 19' ' ' VAL . 3.6 tt0 -162.47 139.79 8.16 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -176.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -47.64 -22.84 0.56 Allowed 'General case' 0 CA--C 1.556 1.18 0 O-C-N 125.603 1.814 . . . . 0.0 113.972 -173.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.43 -52.18 7.53 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.068 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.708 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -67.42 -19.16 65.34 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 118.461 -1.296 . . . . 0.0 110.975 177.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.673 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -74.79 -59.45 3.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.766 0 C-N-CA 127.485 2.314 . . . . 0.0 110.508 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.767 HD11 ' CD1' ' A' ' 6' ' ' ILE . 6.8 mm -58.04 -47.16 87.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.35 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -71.06 -27.94 64.01 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 125.429 1.705 . . . . 0.0 111.669 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -76.68 -19.33 57.85 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 124.622 1.201 . . . . 0.0 112.575 175.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.738 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.2 t80 -97.45 -29.05 13.71 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 125.214 1.571 . . . . 0.0 108.832 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.21 -38.22 16.56 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 124.077 0.861 . . . . 0.0 110.181 -176.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.96 -26.04 64.84 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.584 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.5 m -85.99 10.55 13.8 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 113.617 -1.629 . . . . 0.0 112.835 174.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 55.36 58.02 4.96 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 122.418 1.104 . . . . 0.0 111.46 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt 31.76 60.36 0.31 Allowed 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 112.451 -2.159 . . . . 0.0 113.708 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -106.05 -147.69 0.4 Allowed 'General case' 0 C--N 1.361 1.096 0 CA-C-N 114.578 -1.192 . . . . 0.0 108.686 -172.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -134.28 -76.22 0.47 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-O 121.457 0.646 . . . . 0.0 110.671 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -61.46 -21.29 64.04 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 113.251 -1.795 . . . . 0.0 111.121 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.443 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.97 -46.58 20.71 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 125.253 1.595 . . . . 0.0 109.924 -177.563 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.815 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -60.99 -46.74 89.54 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.691 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.13 78.98 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.324 174.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -33.48 67.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 118.702 -1.199 . . . . 0.0 112.798 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.32 -50.91 63.84 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 124.441 1.088 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.815 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -73.28 -29.32 62.65 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 113.62 -1.627 . . . . 0.0 111.711 -171.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.591 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -85.59 -26.25 26.21 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 114.208 -1.36 . . . . 0.0 110.479 -175.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 t -67.8 -35.29 78.37 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 113.212 -1.813 . . . . 0.0 110.886 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -91.0 100.59 13.42 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 125.133 1.521 . . . . 0.0 109.646 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -52.3 132.96 34.67 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 111.419 -2.628 . . . . 0.0 110.276 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -176.63 51.24 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.041 0 O-C-N 125.3 1.625 . . . . 0.0 109.51 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -170.83 -74.97 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.458 -1.246 . . . . 0.0 108.362 176.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -142.75 -73.35 0.3 Allowed 'General case' 0 C--N 1.357 0.892 0 CA-C-N 113.685 -1.598 . . . . 0.0 107.826 -175.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 CA--C 1.55 0.956 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.656 -176.427 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.395 0 CA-C-O 122.076 0.941 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 85.84 5.73 0.44 Allowed 'General case' 0 C--N 1.349 0.555 0 CA-C-N 111.462 -2.608 . . . . 0.0 113.245 177.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.427 ' HA ' HD12 ' A' ' 6' ' ' ILE . 7.0 pttm -58.06 -18.52 25.09 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 124.775 1.297 . . . . 0.0 114.196 -177.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -43.44 80.23 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 124.624 1.202 . . . . 0.0 111.479 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.35 -19.16 60.55 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.48 176.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.791 ' CD1' HD11 ' A' ' 20' ' ' ILE . 27.8 mt -69.96 -42.18 79.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.827 0 C-N-CA 118.257 -1.377 . . . . 0.0 111.212 -173.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.18 -17.7 63.83 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 119.353 -0.939 . . . . 0.0 112.506 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.75 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -82.17 -57.31 3.45 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.445 1.091 . . . . 0.0 110.428 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.686 HD11 ' CD1' ' A' ' 23' ' ' TYR . 12.7 mt -47.59 -50.36 24.29 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 127.666 2.386 . . . . 0.0 109.186 173.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.691 ' HD2' HG22 ' A' ' 6' ' ' ILE . 8.9 mtpm? -64.88 -36.42 84.29 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.396 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.79 -19.61 65.78 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 114.582 -1.19 . . . . 0.0 112.702 -177.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.75 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.9 mp -76.25 3.46 10.76 Favored 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.142 0.901 . . . . 0.0 111.674 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.06 23.58 8.5 Favored Glycine 0 C--N 1.358 1.753 0 O-C-N 123.675 0.609 . . . . 0.0 112.589 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.0 m-30 -108.01 -146.19 0.4 Allowed 'General case' 0 C--N 1.354 0.784 0 O-C-N 125.005 1.062 . . . . 0.0 108.244 -173.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.497 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.8 tp10 -160.24 141.21 12.13 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -175.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.19 -27.65 0.43 Allowed 'General case' 0 CA--C 1.554 1.119 0 O-C-N 125.239 1.587 . . . . 0.0 114.764 -176.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.54 -50.63 10.43 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.244 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.709 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -68.13 -20.52 64.91 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.485 1.116 . . . . 0.0 111.089 178.178 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.752 ' HA ' HD21 ' A' ' 37' ' ' LEU . 3.2 t -76.5 -55.77 10.11 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 126.944 2.098 . . . . 0.0 110.482 -177.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.791 HD11 ' CD1' ' A' ' 6' ' ' ILE . 8.0 mm -62.12 -43.31 97.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 CA-C-N 113.365 -1.743 . . . . 0.0 110.669 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -74.74 -25.94 59.45 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 125.822 1.951 . . . . 0.0 111.332 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -78.79 -18.07 54.71 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.712 1.258 . . . . 0.0 112.318 174.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.686 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -93.54 -40.23 10.42 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 124.901 1.375 . . . . 0.0 108.766 -179.726 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.44 -40.44 57.57 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 125.092 1.495 . . . . 0.0 110.247 -175.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.24 -26.17 64.65 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 124.697 1.248 . . . . 0.0 110.616 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.455 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -83.37 4.77 26.01 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.965 -1.47 . . . . 0.0 112.823 175.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 59.25 62.6 1.78 Allowed 'General case' 0 C--N 1.358 0.956 0 O-C-N 123.861 0.725 . . . . 0.0 110.244 -175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? 27.86 63.22 0.1 Allowed 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 113.811 -1.54 . . . . 0.0 113.77 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.424 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -109.8 -148.17 0.42 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-N 113.194 -1.821 . . . . 0.0 107.368 -174.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -142.98 -71.01 0.32 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.631 0.651 . . . . 0.0 110.196 -176.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -22.39 66.63 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.776 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.455 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -79.52 -43.32 23.32 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 124.903 1.377 . . . . 0.0 109.468 -178.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.791 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -61.76 -47.29 85.85 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 113.476 -1.693 . . . . 0.0 111.689 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.67 -49.37 75.29 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 124.916 1.385 . . . . 0.0 109.672 175.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.23 -38.83 68.97 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 118.689 -1.204 . . . . 0.0 112.253 178.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -58.03 -56.59 20.08 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.039 0.837 . . . . 0.0 110.484 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -68.49 -29.28 67.86 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 125.319 1.637 . . . . 0.0 112.093 -170.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.583 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -86.82 -26.09 24.23 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 124.974 1.421 . . . . 0.0 109.713 -177.147 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.6 m -81.83 -16.97 49.1 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 113.454 -1.703 . . . . 0.0 111.322 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -58.7 115.47 3.08 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 118.521 -1.272 . . . . 0.0 111.354 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -66.75 120.78 14.1 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 111.515 -2.584 . . . . 0.0 109.602 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -152.9 108.06 3.24 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 111.826 -2.443 . . . . 0.0 107.678 -173.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 55.06 -148.86 0.47 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-N 112.232 -2.258 . . . . 0.0 108.675 174.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 34.09 59.43 0.59 Allowed 'General case' 0 C--N 1.358 0.951 0 O-C-N 124.941 1.4 . . . . 0.0 112.46 170.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 CA--C 1.544 0.719 0 CA-C-N 113.176 -1.829 . . . . 0.0 109.073 -173.599 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 121.915 0.864 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -93.16 -10.72 34.84 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 113.204 -1.817 . . . . 0.0 112.068 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.5 ' HA ' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -61.86 -17.81 57.8 Favored 'General case' 0 C--N 1.357 0.926 0 O-C-N 125.539 1.774 . . . . 0.0 113.149 179.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -44.57 90.0 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 114.117 -1.401 . . . . 0.0 111.448 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.41 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -73.87 -15.29 61.16 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 113.426 -1.715 . . . . 0.0 110.639 177.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.5 HG12 ' HA ' ' A' ' 3' ' ' LYS . 45.2 mm -72.7 -41.89 62.28 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 C-N-CA 118.719 -1.192 . . . . 0.0 112.214 -170.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.91 -17.54 61.5 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 125.108 1.505 . . . . 0.0 111.614 175.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.742 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.32 -54.49 5.89 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 124.913 1.383 . . . . 0.0 110.274 -178.49 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.719 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.6 mt -57.02 -45.23 83.24 Favored 'General case' 0 CA--C 1.551 0.986 0 O-C-N 126.39 2.306 . . . . 0.0 108.123 176.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -37.8 86.08 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.82 174.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.53 -19.17 65.72 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.69 -174.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.2 mp -76.87 3.06 12.84 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 124.29 0.994 . . . . 0.0 111.976 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.94 23.51 8.6 Favored Glycine 0 C--N 1.359 1.817 0 O-C-N 123.882 0.739 . . . . 0.0 113.064 176.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.636 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.6 m-30 -108.23 -147.16 0.41 Allowed 'General case' 0 C--N 1.359 1.002 0 O-C-N 124.922 1.013 . . . . 0.0 109.216 -172.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -155.94 136.44 13.22 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -177.53 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -46.34 -20.61 0.12 Allowed 'General case' 0 CA--C 1.56 1.332 0 O-C-N 125.588 1.805 . . . . 0.0 114.611 -175.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -80.31 -53.95 6.17 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.769 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.725 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.64 -22.31 66.64 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.464 178.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.764 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -72.02 -57.71 6.71 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 C-N-CA 127.869 2.468 . . . . 0.0 110.329 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.91 -49.21 79.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 O-C-N 125.042 1.463 . . . . 0.0 109.859 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -70.92 -24.32 62.43 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 125.747 1.904 . . . . 0.0 112.18 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -80.73 -11.78 59.57 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 124.286 0.991 . . . . 0.0 112.802 174.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.719 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.2 t80 -107.86 -24.38 11.68 Favored 'General case' 0 C--O 1.217 -0.608 0 O-C-N 124.929 1.393 . . . . 0.0 109.961 -178.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -89.35 -42.12 11.74 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 124.433 1.083 . . . . 0.0 109.397 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.98 -25.94 62.93 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 113.907 -1.497 . . . . 0.0 111.128 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.46 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.1 m -81.34 2.13 29.66 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 113.981 -1.463 . . . . 0.0 112.728 175.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 59.25 61.21 2.12 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-O 122.212 1.006 . . . . 0.0 110.637 -176.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 32.0 60.69 0.32 Allowed 'General case' 0 C--N 1.35 0.607 0 CA-C-N 113.049 -1.887 . . . . 0.0 113.756 175.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -105.53 -148.91 0.41 Allowed 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.896 -1.956 . . . . 0.0 107.631 -173.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -141.88 -72.62 0.32 Allowed 'General case' 0 C--N 1.35 0.62 0 O-C-N 123.881 0.738 . . . . 0.0 110.035 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -21.94 66.25 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 113.667 -1.606 . . . . 0.0 110.788 178.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -80.63 -43.4 20.54 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 125.067 1.479 . . . . 0.0 109.583 -178.087 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.797 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -60.0 -48.4 81.86 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 112.789 -2.005 . . . . 0.0 111.906 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.14 -48.34 80.55 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 124.89 1.369 . . . . 0.0 109.986 174.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.2 -33.48 65.36 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 118.669 -1.213 . . . . 0.0 113.196 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -62.06 -56.64 16.95 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 124.687 1.242 . . . . 0.0 109.931 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -69.33 -30.57 68.64 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 124.866 1.353 . . . . 0.0 112.765 -169.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.636 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -83.16 -25.87 31.45 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 113.811 -1.54 . . . . 0.0 110.176 -174.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.4 t -79.9 -12.92 59.71 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 113.298 -1.774 . . . . 0.0 112.208 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -75.77 96.93 3.74 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 124.355 1.034 . . . . 0.0 109.242 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.21 129.85 39.43 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 112.87 -1.968 . . . . 0.0 108.119 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -174.06 111.52 0.17 Allowed 'General case' 0 C--N 1.349 0.552 0 O-C-N 125.494 1.746 . . . . 0.0 107.194 -177.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -174.92 -44.49 0.01 OUTLIER 'General case' 0 C--N 1.349 0.562 0 O-C-N 124.649 1.218 . . . . 0.0 109.501 172.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 62.04 29.88 17.77 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-N 113.188 -1.824 . . . . 0.0 112.685 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 . . . . . 0 CA--C 1.544 0.728 0 O-C-N 124.951 1.407 . . . . 0.0 109.97 -175.243 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 . . . . . 0 CA--C 1.539 0.526 0 CA-C-O 121.027 0.441 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.28 4.53 8.47 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.652 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -59.36 -19.66 48.52 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 125.024 1.452 . . . . 0.0 113.387 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.08 -40.44 86.98 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 113.719 -1.582 . . . . 0.0 110.513 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.414 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -76.21 -19.15 58.65 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 112.832 -1.985 . . . . 0.0 110.718 175.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.567 HG22 ' HD2' ' A' ' 10' ' ' LYS . 26.3 mm -69.11 -45.79 79.26 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 C-N-CA 118.343 -1.343 . . . . 0.0 110.753 -174.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -68.54 -17.37 64.14 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 124.214 0.946 . . . . 0.0 113.153 175.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.72 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -82.16 -55.52 4.5 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 124.58 1.175 . . . . 0.0 109.941 -177.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.785 HD11 ' CD2' ' A' ' 23' ' ' TYR . 9.3 mt -51.43 -49.06 62.39 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 127.081 2.152 . . . . 0.0 109.093 174.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.568 ' HG3' HG21 ' A' ' 19' ' ' VAL . 48.8 mtpt -63.94 -35.53 80.98 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.548 177.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.82 -19.47 65.75 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 114.286 -1.325 . . . . 0.0 112.503 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.9 mp -77.4 4.88 9.87 Favored 'General case' 0 CA--C 1.56 1.353 0 O-C-N 124.089 0.868 . . . . 0.0 111.767 175.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.64 21.87 10.07 Favored Glycine 0 C--N 1.355 1.622 0 O-C-N 123.717 0.635 . . . . 0.0 112.668 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.604 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.7 m-30 -107.03 -147.37 0.41 Allowed 'General case' 0 CA--C 1.545 0.755 0 O-C-N 125.029 1.076 . . . . 0.0 108.337 -173.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 19' ' ' VAL . 20.4 tt0 -161.28 142.4 11.41 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 124.283 0.989 . . . . 0.0 108.374 -176.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -24.7 0.4 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.864 1.666 . . . . 0.0 114.683 -174.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.57 -51.81 7.86 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.867 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.806 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.82 -22.75 66.57 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 124.326 1.017 . . . . 0.0 111.225 177.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.843 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -74.68 -57.12 7.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.417 0 C-N-CA 128.413 2.685 . . . . 0.0 110.944 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 mt -55.31 -54.72 21.93 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 O-C-N 125.247 1.592 . . . . 0.0 109.697 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 39.5 tt0 -62.29 -26.84 68.63 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 125.254 1.596 . . . . 0.0 112.366 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -84.68 -9.45 58.23 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 124.199 0.937 . . . . 0.0 113.424 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.785 ' CD2' HD11 ' A' ' 9' ' ' LEU . 1.8 t80 -119.15 -3.44 10.6 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 124.591 1.182 . . . . 0.0 109.984 -178.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.2 -40.02 4.56 Favored 'General case' 0 C--N 1.346 0.425 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 21' ' ' GLN . . . -72.04 -27.56 62.79 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 124.864 1.353 . . . . 0.0 110.513 174.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.91 1.81 25.78 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 114.144 -1.389 . . . . 0.0 112.905 175.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 58.71 61.48 2.18 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.133 0.895 . . . . 0.0 111.013 -176.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? 32.64 55.19 0.39 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-N 112.656 -2.065 . . . . 0.0 112.685 170.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -100.2 -142.03 0.33 Allowed 'General case' 0 C--N 1.35 0.615 0 CA-C-N 112.644 -2.071 . . . . 0.0 107.338 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -143.6 -78.56 0.22 Allowed 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.732 0.645 . . . . 0.0 109.517 -177.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.58 -21.74 65.84 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 114.059 -1.428 . . . . 0.0 111.343 176.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.17 -42.88 22.56 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 125.079 1.487 . . . . 0.0 109.644 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.745 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -66.06 -45.53 81.01 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.032 -1.894 . . . . 0.0 111.164 -178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.36 -49.39 72.39 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 125.49 1.743 . . . . 0.0 109.971 172.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -34.88 60.62 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 118.866 -1.134 . . . . 0.0 113.104 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -61.51 -54.8 38.53 Favored 'General case' 0 CA--C 1.55 0.976 0 O-C-N 124.295 0.997 . . . . 0.0 110.869 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.843 HD21 ' HA ' ' A' ' 19' ' ' VAL . 1.7 mp -71.65 -28.96 64.11 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.679 -170.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.604 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.82 -26.89 31.28 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 125.171 1.544 . . . . 0.0 109.499 -177.182 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.4 m -67.55 -24.65 65.56 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 113.483 -1.69 . . . . 0.0 112.446 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.407 ' OE1' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -43.29 101.01 0.02 OUTLIER 'General case' 0 C--N 1.359 0.983 0 O-C-N 125.307 1.629 . . . . 0.0 111.585 178.05 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -61.58 132.16 52.42 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 112.566 -2.106 . . . . 0.0 109.782 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.2 t80 179.5 139.86 0.11 Allowed 'General case' 0 C--N 1.35 0.599 0 CA-C-N 112.506 -2.134 . . . . 0.0 108.131 -171.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 t70 49.15 79.92 0.07 Allowed 'General case' 0 C--N 1.352 0.712 0 CA-C-N 113.166 -1.834 . . . . 0.0 110.93 174.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -148.09 32.79 0.83 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 113.396 -1.729 . . . . 0.0 109.82 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 . . . . . 0 CA--C 1.542 0.654 0 CA-C-N 114.285 -1.325 . . . . 0.0 109.458 177.386 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 CA--C 1.542 0.646 0 CA-C-O 121.475 0.655 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -118.05 -17.6 9.62 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 113.89 -1.505 . . . . 0.0 112.198 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -41.38 -27.81 0.1 Allowed 'General case' 0 C--N 1.358 0.969 0 O-C-N 125.465 1.728 . . . . 0.0 114.923 -178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -58.45 -56.34 23.4 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 113.942 -1.481 . . . . 0.0 111.211 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.47 -18.1 61.16 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 112.774 -2.012 . . . . 0.0 111.32 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.734 HD11 HD11 ' A' ' 20' ' ' ILE . 43.3 mt -65.42 -47.81 85.43 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 118.26 -1.376 . . . . 0.0 111.072 -174.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -68.52 -17.77 64.23 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 125.244 1.59 . . . . 0.0 112.128 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.762 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -80.58 -53.08 6.87 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 125.172 1.545 . . . . 0.0 110.265 -175.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.709 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.1 mt -55.75 -46.13 77.89 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 127.483 2.313 . . . . 0.0 108.341 174.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -35.82 82.03 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.564 -1.198 . . . . 0.0 112.777 175.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.34 -18.47 65.17 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.768 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.4 mp -77.46 4.24 11.51 Favored 'General case' 0 CA--C 1.558 1.277 0 O-C-N 124.207 0.942 . . . . 0.0 111.836 175.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.43 24.4 9.5 Favored Glycine 0 C--N 1.359 1.841 0 O-C-N 124.003 0.814 . . . . 0.0 112.972 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.619 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.0 m-30 -107.25 -145.17 0.39 Allowed 'General case' 0 C--N 1.357 0.934 0 O-C-N 125.056 1.092 . . . . 0.0 109.241 -173.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.4 tt0 -157.06 138.49 13.9 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 124.12 0.888 . . . . 0.0 109.09 -178.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG3' HG21 ' A' ' 6' ' ' ILE . 48.3 tt0 -45.51 -24.4 0.32 Allowed 'General case' 0 CA--C 1.558 1.284 0 O-C-N 125.842 1.964 . . . . 0.0 113.915 -175.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.1 -52.9 7.23 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.569 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.711 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.5 -22.43 66.73 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 118.955 -1.098 . . . . 0.0 110.734 177.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.712 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -70.05 -58.33 5.76 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 C-N-CA 127.688 2.395 . . . . 0.0 111.175 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.734 HD11 HD11 ' A' ' 6' ' ' ILE . 4.8 mm -57.01 -48.96 80.82 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 O-C-N 125.506 1.754 . . . . 0.0 110.437 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -70.3 -24.17 62.98 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 125.566 1.791 . . . . 0.0 112.258 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -82.86 -10.81 58.66 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.535 1.147 . . . . 0.0 112.95 174.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.709 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -108.49 -21.3 12.79 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 124.923 1.389 . . . . 0.0 110.135 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -92.01 -42.63 9.87 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.398 1.061 . . . . 0.0 108.989 -178.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.46 -25.89 62.49 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 114.012 -1.449 . . . . 0.0 111.227 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.7 0.51 34.13 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 114.018 -1.446 . . . . 0.0 112.829 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 57.5 67.41 0.98 Allowed 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.255 0.972 . . . . 0.0 110.919 -173.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 28.75 58.6 0.13 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 112.085 -2.325 . . . . 0.0 113.345 173.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.59 -162.14 0.82 Allowed 'General case' 0 C--N 1.35 0.601 0 CA-C-N 112.589 -2.096 . . . . 0.0 107.064 -175.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -129.81 -74.83 0.55 Allowed 'General case' 0 C--N 1.35 0.607 0 O-C-N 124.274 0.984 . . . . 0.0 109.344 -173.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -21.45 66.02 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.466 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.8 tp -82.78 -41.22 19.41 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.992 1.432 . . . . 0.0 110.113 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.745 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -60.97 -49.13 78.68 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 112.59 -2.095 . . . . 0.0 111.776 177.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.05 -48.28 78.93 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 124.973 1.421 . . . . 0.0 109.942 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -56.32 -34.61 66.71 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 118.311 -1.356 . . . . 0.0 113.107 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -60.27 -54.31 47.26 Favored 'General case' 0 CA--C 1.55 0.979 0 O-C-N 124.375 1.047 . . . . 0.0 110.701 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.745 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.2 mp -72.25 -29.16 63.65 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 114.517 -1.22 . . . . 0.0 112.364 -171.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.619 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.78 -26.54 31.73 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 114.158 -1.383 . . . . 0.0 110.183 -176.003 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.7 t -77.56 -15.8 59.03 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 113.16 -1.837 . . . . 0.0 111.82 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -63.28 96.09 0.1 Allowed 'General case' 0 C--N 1.359 1.015 0 O-C-N 125.096 1.498 . . . . 0.0 110.078 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.58 131.28 14.25 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 112.075 -2.33 . . . . 0.0 111.443 175.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -173.21 125.54 0.42 Allowed 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 111.849 -2.432 . . . . 0.0 108.115 -173.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -161.07 126.98 3.83 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 112.902 -1.954 . . . . 0.0 108.064 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -74.85 -35.33 62.36 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 113.994 -1.457 . . . . 0.0 111.44 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 . . . . . 0 CA--C 1.547 0.857 0 O-C-N 125.263 1.602 . . . . 0.0 111.41 179.063 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.51 12.37 16.17 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 124.567 1.167 . . . . 0.0 111.614 177.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.486 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -52.85 -21.65 4.5 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -177.082 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -69.42 -39.02 78.13 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.68 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.41 -15.04 59.56 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 112.111 -2.313 . . . . 0.0 110.232 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.712 HD11 HD11 ' A' ' 20' ' ' ILE . 41.2 mt -75.79 -22.59 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 118.916 -1.114 . . . . 0.0 112.145 -175.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -88.02 -16.1 34.59 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 124.059 0.85 . . . . 0.0 110.633 174.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.786 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -85.0 -54.98 4.3 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.858 1.349 . . . . 0.0 110.306 -178.512 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.736 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.0 mt -52.2 -49.75 63.28 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 126.445 2.34 . . . . 0.0 108.717 172.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -62.47 -35.65 79.99 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 119.054 -1.058 . . . . 0.0 113.103 175.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.59 -19.39 65.9 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 124.508 1.13 . . . . 0.0 112.812 -176.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.1 mp -76.91 4.12 10.58 Favored 'General case' 0 CA--C 1.56 1.342 0 O-C-N 124.196 0.935 . . . . 0.0 111.988 175.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.14 26.21 8.47 Favored Glycine 0 C--N 1.358 1.752 0 O-C-N 123.803 0.69 . . . . 0.0 112.675 176.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.601 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.2 m-30 -107.98 -145.16 0.39 Allowed 'General case' 0 C--N 1.358 0.954 0 O-C-N 125.124 1.132 . . . . 0.0 108.913 -173.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.8 tp10 -159.9 140.66 12.18 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 -176.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -51.75 -19.32 1.58 Allowed 'General case' 0 CA--C 1.56 1.335 0 O-C-N 125.275 1.609 . . . . 0.0 113.696 -173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -52.85 7.17 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 120.329 -0.548 . . . . 0.0 111.032 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.736 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.51 -20.65 66.09 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 124.768 1.292 . . . . 0.0 110.65 179.268 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.739 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.4 t -74.54 -57.9 5.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 C-N-CA 127.56 2.344 . . . . 0.0 111.067 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.712 HD11 HD11 ' A' ' 6' ' ' ILE . 5.1 mm -56.8 -51.06 72.18 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 O-C-N 125.521 1.763 . . . . 0.0 110.314 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -68.14 -23.28 64.86 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 125.754 1.909 . . . . 0.0 112.377 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -85.23 -15.22 44.29 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.537 1.148 . . . . 0.0 113.12 176.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.736 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.5 t80 -106.27 -14.87 14.99 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 125.004 1.44 . . . . 0.0 109.413 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -98.93 -38.94 8.81 Favored 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.82 -25.74 63.9 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 125.261 1.601 . . . . 0.0 110.765 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.508 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -84.11 5.87 24.46 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.93 -1.486 . . . . 0.0 112.851 175.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 59.36 55.07 4.38 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 122.154 0.978 . . . . 0.0 111.841 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? 31.86 52.91 0.24 Allowed 'General case' 0 C--N 1.353 0.737 0 CA-C-N 112.94 -1.936 . . . . 0.0 113.144 173.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -89.6 -100.88 0.09 Allowed 'General case' 0 C--N 1.354 0.803 0 CA-C-N 111.896 -2.411 . . . . 0.0 107.31 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 170.4 -81.32 0.0 OUTLIER 'General case' 0 C--N 1.353 0.739 0 O-C-N 124.471 1.107 . . . . 0.0 109.068 -172.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.05 -23.02 66.22 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 113.836 -1.529 . . . . 0.0 110.641 179.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.508 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -76.94 -44.03 33.05 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 125.187 1.554 . . . . 0.0 109.599 179.504 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.819 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -62.66 -46.04 90.05 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.16 -1.836 . . . . 0.0 111.887 -177.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.28 -48.32 68.42 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 125.221 1.576 . . . . 0.0 109.95 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -57.39 -35.41 69.98 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 118.443 -1.303 . . . . 0.0 113.087 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.0 -51.91 66.12 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 124.397 1.061 . . . . 0.0 110.409 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.819 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -72.6 -30.42 64.34 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.229 -1.35 . . . . 0.0 112.087 -169.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.601 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -84.1 -26.24 29.1 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-N 114.11 -1.405 . . . . 0.0 110.2 -175.347 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.5 t -72.19 -25.04 61.52 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 113.149 -1.842 . . . . 0.0 111.14 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -79.34 89.28 4.95 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 124.875 1.36 . . . . 0.0 110.007 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -54.66 132.38 45.33 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 112.848 -1.978 . . . . 0.0 110.377 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.406 ' O ' ' CG ' ' A' ' 42' ' ' PHE . 70.6 t80 -172.24 26.82 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.27 0 O-C-N 124.905 1.378 . . . . 0.0 111.156 -174.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -171.24 -90.59 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.4 t70 53.76 91.47 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.907 0 O-C-N 125.375 1.672 . . . . 0.0 110.385 -173.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 . . . . . 0 CA--C 1.559 1.324 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.284 176.458 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.67 0 CA-C-O 121.757 0.789 . . . . 0.0 112.447 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -93.87 14.31 19.88 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 114.035 -1.439 . . . . 0.0 112.49 -170.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.541 ' HA ' HG12 ' A' ' 6' ' ' ILE . 31.5 pttt -60.64 -20.87 61.94 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 125.777 1.923 . . . . 0.0 112.957 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -39.29 84.72 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.546 1.154 . . . . 0.0 111.202 178.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.32 -15.95 60.45 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 112.996 -1.911 . . . . 0.0 110.377 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.541 HG12 ' HA ' ' A' ' 3' ' ' LYS . 29.8 mm -75.18 -27.1 19.35 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 C-N-CA 118.662 -1.215 . . . . 0.0 111.989 -172.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -85.89 -15.91 40.24 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.173 0.921 . . . . 0.0 111.344 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.7 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -84.23 -53.77 5.27 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.709 1.256 . . . . 0.0 109.81 -176.483 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.733 HD11 ' CD1' ' A' ' 23' ' ' TYR . 11.6 mt -56.39 -48.31 77.15 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 126.508 2.38 . . . . 0.0 108.604 175.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -61.64 -35.26 77.42 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.99 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.08 -18.83 65.5 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.455 1.097 . . . . 0.0 112.838 -175.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.0 mp -77.17 5.34 8.53 Favored 'General case' 0 CA--C 1.557 1.241 0 O-C-N 124.169 0.918 . . . . 0.0 111.654 175.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.43 31.61 7.07 Favored Glycine 0 C--N 1.358 1.779 0 O-C-N 123.939 0.775 . . . . 0.0 112.288 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.571 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.6 m-30 -112.22 -145.36 0.4 Allowed 'General case' 0 C--N 1.359 1.02 0 O-C-N 125.424 1.308 . . . . 0.0 108.956 -175.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 19' ' ' VAL . 3.6 tp10 -160.11 141.34 12.41 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 -176.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -50.55 -20.07 1.07 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 125.143 1.527 . . . . 0.0 114.225 -175.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -53.82 6.33 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.913 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.703 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.93 -20.99 66.41 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 124.596 1.185 . . . . 0.0 110.953 179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.696 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.2 t -75.8 -59.18 3.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 C-N-CA 128.141 2.576 . . . . 0.0 110.91 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.0 mm -56.12 -47.66 80.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.601 0 O-C-N 125.197 1.561 . . . . 0.0 110.142 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -72.46 -25.87 61.6 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 125.583 1.802 . . . . 0.0 112.325 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -78.87 -16.09 57.51 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.363 1.04 . . . . 0.0 112.743 174.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.733 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -101.01 -29.78 11.99 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 124.913 1.383 . . . . 0.0 108.69 -177.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -85.16 -39.99 17.22 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 124.332 1.02 . . . . 0.0 110.148 -176.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.59 -25.76 64.13 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 114.104 -1.407 . . . . 0.0 110.741 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.499 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -83.19 4.29 27.34 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.835 -1.529 . . . . 0.0 113.059 176.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 57.19 61.65 2.48 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 122.362 1.077 . . . . 0.0 111.311 -175.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm 30.64 58.19 0.22 Allowed 'General case' 0 C--N 1.354 0.767 0 C-N-CA 127.925 2.49 . . . . 0.0 112.938 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.0 -138.72 0.35 Allowed 'General case' 0 C--N 1.356 0.885 0 CA-C-N 113.355 -1.748 . . . . 0.0 108.793 -170.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.54 -70.88 0.19 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 119.161 -1.016 . . . . 0.0 109.658 -176.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -66.72 -21.26 66.08 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 112.73 -2.032 . . . . 0.0 110.728 176.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -80.05 -44.52 19.94 Favored 'General case' 0 C--O 1.216 -0.699 0 O-C-N 125.051 1.469 . . . . 0.0 109.729 -179.171 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.78 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -62.05 -47.52 84.32 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.846 -179.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.76 -48.82 76.99 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 125.201 1.563 . . . . 0.0 109.706 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -58.35 -33.22 69.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 118.364 -1.334 . . . . 0.0 112.722 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -62.25 -53.57 53.28 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 124.267 0.979 . . . . 0.0 110.028 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -71.45 -28.94 64.31 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 113.449 -1.705 . . . . 0.0 111.857 -170.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.571 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -86.43 -26.1 24.89 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 125.021 1.451 . . . . 0.0 110.13 -176.285 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.6 t -88.44 -6.09 57.86 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 113.637 -1.619 . . . . 0.0 111.823 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -172.05 3.73 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 176.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.94 122.02 39.28 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 113.626 -1.625 . . . . 0.0 107.389 -176.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -173.94 31.64 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.178 0 O-C-N 125.098 1.499 . . . . 0.0 110.344 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.74 179.8 1.61 Allowed 'General case' 0 C--N 1.351 0.647 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.437 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -157.35 50.49 0.45 Allowed 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.001 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.845 0 CA-C-N 114.103 -1.408 . . . . 0.0 110.778 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.503 0.192 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.25 6.96 5.38 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 125.115 1.509 . . . . 0.0 112.518 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.513 ' HA ' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -59.47 -19.72 49.86 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 125.533 1.77 . . . . 0.0 113.122 178.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.72 -41.87 87.21 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.861 1.35 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.38 -15.61 60.45 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 112.778 -2.01 . . . . 0.0 110.66 176.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.513 HG12 ' HA ' ' A' ' 3' ' ' LYS . 29.5 mm -77.11 -23.57 14.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 C-N-CA 118.629 -1.228 . . . . 0.0 112.3 -172.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 23.4 pt-20 -89.84 -15.5 32.11 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 124.377 1.048 . . . . 0.0 110.89 173.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.693 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -83.92 -53.42 5.59 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 124.71 1.256 . . . . 0.0 109.793 -176.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.72 HD11 ' CD1' ' A' ' 23' ' ' TYR . 11.6 mt -58.26 -47.77 82.54 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 126.529 2.393 . . . . 0.0 108.543 175.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -62.41 -33.75 75.39 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 119.343 -0.943 . . . . 0.0 112.686 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.07 -19.2 65.77 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 124.149 0.906 . . . . 0.0 112.601 -175.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.4 mp -77.7 4.37 11.72 Favored 'General case' 0 CA--C 1.561 1.384 0 O-C-N 124.144 0.902 . . . . 0.0 111.839 175.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.06 27.22 7.92 Favored Glycine 0 C--N 1.357 1.709 0 O-C-N 123.636 0.585 . . . . 0.0 112.858 175.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.578 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.7 m-30 -109.49 -145.11 0.39 Allowed 'General case' 0 CA--C 1.548 0.888 0 O-C-N 124.873 0.984 . . . . 0.0 108.77 -172.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.498 ' O ' HG23 ' A' ' 19' ' ' VAL . 5.7 tp10 -158.9 140.94 13.76 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -52.7 -17.86 1.53 Allowed 'General case' 0 CA--C 1.56 1.332 0 O-C-N 125.216 1.572 . . . . 0.0 113.714 -174.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.56 -53.97 6.09 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.968 177.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.704 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.45 -21.95 66.7 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 124.449 1.093 . . . . 0.0 111.162 179.697 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.736 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.2 t -74.9 -59.74 3.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 C-N-CA 127.93 2.492 . . . . 0.0 110.864 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 mm -55.58 -46.34 79.12 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 O-C-N 125.136 1.522 . . . . 0.0 110.422 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -72.04 -29.21 63.94 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 125.962 2.038 . . . . 0.0 112.048 179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -76.54 -16.79 59.53 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 124.12 0.888 . . . . 0.0 112.486 176.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.72 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.1 t80 -98.4 -39.76 8.62 Favored 'General case' 0 C--O 1.218 -0.561 0 O-C-N 124.863 1.352 . . . . 0.0 108.381 -177.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -74.11 -41.51 61.52 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 125.052 1.47 . . . . 0.0 110.799 -177.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.68 -25.09 63.72 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.607 1.192 . . . . 0.0 110.583 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.46 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -84.04 4.52 29.66 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 114.16 -1.382 . . . . 0.0 113.099 176.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 61.28 59.21 1.99 Allowed 'General case' 0 C--N 1.359 0.983 0 CA-C-O 122.148 0.975 . . . . 0.0 110.383 -176.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.99 50.97 0.37 Allowed 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 113.244 -1.798 . . . . 0.0 114.101 175.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -96.61 -144.08 0.28 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 113.207 -1.815 . . . . 0.0 108.194 -172.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -146.13 -72.85 0.23 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-O 121.495 0.664 . . . . 0.0 109.534 -177.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.78 -23.19 67.1 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.13 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -79.48 -43.34 23.38 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 124.859 1.349 . . . . 0.0 109.26 -178.312 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.797 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -62.02 -47.49 84.52 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 113.462 -1.699 . . . . 0.0 111.633 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.88 -49.61 72.9 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 124.987 1.43 . . . . 0.0 109.624 175.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -56.41 -36.74 69.28 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 118.382 -1.327 . . . . 0.0 112.94 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.94 -53.34 59.05 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 124.138 0.899 . . . . 0.0 110.592 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -70.83 -28.75 64.85 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 113.741 -1.572 . . . . 0.0 111.75 -170.517 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.578 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -87.45 -24.8 24.03 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 124.97 1.419 . . . . 0.0 109.955 -176.746 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 m -78.53 -30.05 46.82 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.901 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -81.87 98.8 8.69 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 125.058 1.473 . . . . 0.0 109.033 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -47.13 129.78 12.44 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.947 171.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -175.74 84.96 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 111.888 -2.414 . . . . 0.0 107.771 -174.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.1 p30 -149.44 79.59 1.39 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 112.714 -2.039 . . . . 0.0 109.612 177.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -26.98 16.14 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 113.924 -1.489 . . . . 0.0 112.422 176.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 . . . . . 0 CA--C 1.552 1.046 0 O-C-N 124.471 1.107 . . . . 0.0 110.208 173.608 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 121.091 0.472 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.432 ' CB ' ' HZ3' ' A' ' 28' ' ' LYS . 5.5 tp10 84.18 -5.99 1.06 Allowed 'General case' 0 C--N 1.355 0.835 0 O-C-N 126.001 2.063 . . . . 0.0 112.697 179.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -53.47 -19.74 3.96 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 125.307 1.63 . . . . 0.0 114.229 -176.536 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -49.73 61.54 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 113.724 -1.58 . . . . 0.0 109.861 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.428 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -70.1 -18.72 63.26 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 113.148 -1.842 . . . . 0.0 110.913 176.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.787 HD11 HD11 ' A' ' 20' ' ' ILE . 31.9 mt -69.37 -45.56 78.58 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 C-N-CA 118.828 -1.149 . . . . 0.0 111.056 -175.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -66.99 -18.96 65.63 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 119.14 -1.024 . . . . 0.0 112.353 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.76 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -80.38 -57.59 3.53 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 124.729 1.268 . . . . 0.0 110.256 -177.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.71 HD11 ' CD1' ' A' ' 23' ' ' TYR . 8.2 mt -47.39 -50.63 22.0 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 127.262 2.225 . . . . 0.0 109.329 173.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.706 ' HD2' HG22 ' A' ' 6' ' ' ILE . 8.9 mtpm? -63.62 -36.61 84.37 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.57 177.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.74 -19.7 65.81 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.222 -1.353 . . . . 0.0 112.717 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.3 mp -77.44 4.72 10.32 Favored 'General case' 0 CA--C 1.561 1.379 0 O-C-N 124.137 0.898 . . . . 0.0 111.689 175.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.18 22.42 9.92 Favored Glycine 0 C--N 1.359 1.827 0 O-C-N 123.772 0.67 . . . . 0.0 112.749 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.558 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.1 m-30 -106.63 -145.3 0.39 Allowed 'General case' 0 C--N 1.358 0.954 0 O-C-N 124.983 1.049 . . . . 0.0 108.719 -173.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 19' ' ' VAL . 5.4 tp10 -162.47 141.06 8.89 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -175.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -46.01 -25.96 0.65 Allowed 'General case' 0 CA--C 1.556 1.193 0 O-C-N 125.3 1.625 . . . . 0.0 114.539 -175.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.15 -51.72 8.64 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.849 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.73 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -67.54 -18.01 64.87 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 118.695 -1.202 . . . . 0.0 110.878 178.794 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.793 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.5 t -78.98 -58.44 4.01 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 C-N-CA 126.824 2.05 . . . . 0.0 110.498 -177.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.787 HD11 HD11 ' A' ' 6' ' ' ILE . 7.2 mm -60.07 -48.47 87.8 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 O-C-N 125.49 1.744 . . . . 0.0 110.552 -179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -25.6 65.87 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 125.824 1.953 . . . . 0.0 111.769 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -82.58 -19.28 38.79 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.559 1.162 . . . . 0.0 112.474 176.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.71 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -96.35 -22.56 17.11 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 124.908 1.38 . . . . 0.0 109.034 -179.299 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.3 -36.24 12.06 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 123.82 0.7 . . . . 0.0 109.537 -177.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.2 -26.69 64.0 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 124.855 1.347 . . . . 0.0 110.808 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -84.45 5.31 27.85 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 124.895 1.372 . . . . 0.0 112.657 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 56.32 60.02 3.37 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.871 0.843 . . . . 0.0 111.503 -175.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HZ3' ' CB ' ' A' ' 2' ' ' GLU . 1.4 mmmp? 27.49 54.79 0.07 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 127.837 2.455 . . . . 0.0 113.176 174.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.59 -27.21 14.12 Favored 'General case' 0 C--N 1.36 1.054 0 CA-C-N 113.49 -1.686 . . . . 0.0 111.752 -168.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 91.28 -65.52 0.01 OUTLIER 'General case' 0 C--N 1.351 0.66 0 O-C-N 125.893 1.996 . . . . 0.0 111.513 171.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.9 -23.33 66.61 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.621 -1.627 . . . . 0.0 111.114 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.97 -34.83 17.94 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.977 1.423 . . . . 0.0 109.172 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.758 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -63.28 -44.5 94.9 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 113.492 -1.685 . . . . 0.0 111.608 -177.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.43 -48.02 75.07 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 125.091 1.494 . . . . 0.0 109.658 174.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -57.28 -33.9 68.12 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.903 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -60.22 -56.15 25.09 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.572 1.17 . . . . 0.0 109.92 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.793 HD21 ' HA ' ' A' ' 19' ' ' VAL . 1.4 mp -70.27 -31.33 68.64 Favored 'General case' 0 CA--C 1.552 1.039 0 O-C-N 124.644 1.215 . . . . 0.0 112.161 -169.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.558 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.19 -24.56 34.88 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 124.995 1.434 . . . . 0.0 110.006 -176.058 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 t -68.9 -24.96 64.37 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.407 -1.724 . . . . 0.0 111.825 176.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -83.81 78.09 9.77 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.826 1.329 . . . . 0.0 109.052 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.65 132.38 48.8 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 112.731 -2.031 . . . . 0.0 109.66 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -176.78 130.04 0.19 Allowed 'General case' 0 C--N 1.347 0.463 0 CA-C-N 113.121 -1.854 . . . . 0.0 108.324 -172.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.4 t70 75.51 -3.39 2.59 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 112.651 -2.068 . . . . 0.0 112.676 175.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 50.73 49.11 21.61 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.947 1.299 . . . . 0.0 112.123 -178.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.355 0.808 0 CA-C-N 113.614 -1.63 . . . . 0.0 110.15 -173.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 . . . . . 0 CA--C 1.54 0.558 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -123.73 11.91 9.14 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 124.98 1.425 . . . . 0.0 111.064 -177.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.498 ' HA ' HG12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -60.17 -19.82 55.74 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 125.123 1.514 . . . . 0.0 112.71 179.73 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.12 -38.9 92.14 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.714 -1.584 . . . . 0.0 111.718 174.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.411 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -75.76 -15.85 60.21 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 113.717 -1.583 . . . . 0.0 110.698 176.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.498 HG12 ' HA ' ' A' ' 3' ' ' LYS . 30.8 mm -75.84 -25.32 17.17 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 C-N-CA 118.192 -1.403 . . . . 0.0 112.174 -173.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 17.8 pt-20 -88.5 -14.3 38.16 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.526 1.141 . . . . 0.0 111.153 174.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.756 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.96 -53.24 5.21 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.747 1.279 . . . . 0.0 109.947 -177.005 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.729 HD11 ' CD1' ' A' ' 23' ' ' TYR . 11.9 mt -56.28 -48.0 77.5 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 126.477 2.361 . . . . 0.0 108.568 174.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -61.42 -36.58 80.74 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.681 -1.145 . . . . 0.0 113.203 174.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.1 -18.89 65.64 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 124.393 1.058 . . . . 0.0 112.802 -175.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.9 mp -77.21 4.65 10.02 Favored 'General case' 0 CA--C 1.559 1.291 0 O-C-N 124.253 0.97 . . . . 0.0 111.967 176.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.65 26.51 8.54 Favored Glycine 0 C--N 1.358 1.792 0 O-C-N 123.844 0.715 . . . . 0.0 112.673 176.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.591 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.4 m-30 -109.54 -146.08 0.4 Allowed 'General case' 0 C--N 1.358 0.951 0 O-C-N 125.112 1.125 . . . . 0.0 108.876 -173.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.7 tp10 -159.76 140.99 12.62 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -176.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -49.49 -19.68 0.6 Allowed 'General case' 0 CA--C 1.556 1.182 0 O-C-N 125.72 1.887 . . . . 0.0 114.197 -174.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.91 -53.9 5.77 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.912 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.728 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -65.16 -21.27 66.75 Favored 'General case' 0 C--N 1.36 1.041 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 178.477 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.684 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -73.55 -58.68 4.4 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 C-N-CA 127.969 2.508 . . . . 0.0 111.265 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.1 mm -56.84 -49.27 79.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 125.215 1.572 . . . . 0.0 110.189 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -66.87 -28.12 68.07 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 125.941 2.025 . . . . 0.0 112.402 177.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -80.41 -12.83 59.52 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.246 0.966 . . . . 0.0 113.222 176.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.729 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.4 t80 -105.48 -25.68 12.23 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 125.027 1.455 . . . . 0.0 109.487 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -87.62 -42.85 12.4 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 124.546 1.154 . . . . 0.0 109.418 -177.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.92 -26.16 63.08 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 113.702 -1.59 . . . . 0.0 110.974 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.404 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.3 m -82.3 5.38 20.32 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 113.769 -1.56 . . . . 0.0 112.596 174.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 54.95 63.7 2.04 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.624 0.726 . . . . 0.0 111.216 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 30.44 63.31 0.18 Allowed 'General case' 0 C--N 1.352 0.68 0 CA-C-N 112.94 -1.936 . . . . 0.0 113.17 175.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.4 -171.32 1.86 Allowed 'General case' 0 C--N 1.349 0.566 0 CA-C-N 112.698 -2.047 . . . . 0.0 107.69 -177.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -119.67 -73.3 0.65 Allowed 'General case' 0 C--N 1.349 0.563 0 O-C-N 124.328 1.018 . . . . 0.0 110.006 -174.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -62.24 -21.51 65.22 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.657 -1.61 . . . . 0.0 111.071 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -79.93 -43.92 21.27 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 125.16 1.538 . . . . 0.0 109.584 -177.309 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.793 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -61.28 -47.44 85.98 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 113.235 -1.802 . . . . 0.0 111.921 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.84 -48.78 77.26 Favored 'General case' 0 C--O 1.216 -0.685 0 O-C-N 125.035 1.459 . . . . 0.0 110.081 174.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.3 -32.96 67.18 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 118.397 -1.321 . . . . 0.0 112.614 178.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -66.02 -47.79 73.26 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 124.18 0.925 . . . . 0.0 110.736 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.793 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -79.87 -20.13 46.62 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.539 -170.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.591 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -92.8 -27.53 17.12 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 125.15 1.531 . . . . 0.0 109.42 -178.575 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 t -82.67 -40.58 20.48 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 113.119 -1.855 . . . . 0.0 111.48 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 38.04 92.94 0.01 OUTLIER 'General case' 0 C--N 1.357 0.92 0 O-C-N 125.826 1.954 . . . . 0.0 112.201 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.58 126.94 29.19 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.67 -175.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -178.88 67.9 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 O-C-N 125.553 1.783 . . . . 0.0 108.323 -175.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.62 32.38 0.02 OUTLIER 'General case' 0 C--N 1.351 0.672 0 CA-C-N 114.105 -1.407 . . . . 0.0 111.064 176.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 66.93 41.18 2.81 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 124.346 1.029 . . . . 0.0 111.229 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 . . . . . 0 CA--C 1.553 1.088 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.732 177.859 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 121.955 0.883 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.68 4.28 54.02 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 112.752 -2.022 . . . . 0.0 111.693 -177.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -56.58 -21.25 25.41 Favored 'General case' 0 C--N 1.361 1.083 0 O-C-N 125.09 1.494 . . . . 0.0 114.035 -175.709 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -44.34 93.91 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 113.249 -1.796 . . . . 0.0 111.837 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.417 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -75.98 -14.87 60.23 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 113.364 -1.744 . . . . 0.0 111.335 175.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.815 HD11 HD11 ' A' ' 20' ' ' ILE . 30.7 mt -76.59 -21.53 15.0 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 C-N-CA 117.643 -1.623 . . . . 0.0 111.636 -174.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 15.5 pt-20 -89.36 -15.69 32.74 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.102 0.876 . . . . 0.0 110.747 174.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.756 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -85.65 -54.09 4.75 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.722 1.264 . . . . 0.0 109.502 -176.566 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.761 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.8 mt -54.91 -47.76 73.93 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 126.359 2.287 . . . . 0.0 108.649 173.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -64.3 -34.11 77.38 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 118.741 -1.184 . . . . 0.0 112.953 174.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -65.2 -19.19 65.86 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 124.175 0.922 . . . . 0.0 112.771 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.1 mp -77.22 4.95 9.33 Favored 'General case' 0 CA--C 1.558 1.28 0 O-C-N 124.216 0.948 . . . . 0.0 112.08 176.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.41 27.15 9.41 Favored Glycine 0 C--N 1.356 1.662 0 O-C-N 123.71 0.631 . . . . 0.0 112.385 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.7 m-30 -108.12 -144.09 0.38 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -173.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 19' ' ' VAL . 21.3 tt0 -161.5 140.49 9.89 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -176.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -50.49 -20.12 1.06 Allowed 'General case' 0 CA--C 1.552 1.049 0 O-C-N 125.804 1.94 . . . . 0.0 113.806 -172.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -80.83 -56.21 4.28 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.592 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.806 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -62.59 -20.31 64.59 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 118.576 -1.25 . . . . 0.0 111.813 178.796 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.667 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -73.61 -61.39 1.72 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.5 0 O-C-N 126.158 2.161 . . . . 0.0 110.932 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.815 HD11 HD11 ' A' ' 6' ' ' ILE . 6.3 mm -56.32 -49.52 76.27 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 O-C-N 125.292 1.62 . . . . 0.0 110.108 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -65.75 -26.45 67.73 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 126.058 2.099 . . . . 0.0 112.061 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -84.37 -11.66 55.9 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.108 0.88 . . . . 0.0 113.17 175.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.761 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -106.4 -16.6 14.51 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 124.583 1.177 . . . . 0.0 109.336 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.55 -41.06 7.12 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 124.282 0.989 . . . . 0.0 109.105 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.33 -25.62 62.48 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.712 1.257 . . . . 0.0 110.942 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -84.03 4.75 28.6 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 114.058 -1.428 . . . . 0.0 112.506 174.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 55.78 60.53 3.23 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 124.239 0.962 . . . . 0.0 110.722 -176.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 27.47 53.19 0.05 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.561 1.544 . . . . 0.0 113.886 176.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.81 -25.56 16.58 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.485 -1.688 . . . . 0.0 111.411 -171.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 87.91 -67.75 0.02 OUTLIER 'General case' 0 C--N 1.354 0.789 0 O-C-N 126.086 2.116 . . . . 0.0 110.728 173.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -22.8 66.9 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 113.742 -1.572 . . . . 0.0 111.106 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.77 -31.23 18.48 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 125.04 1.462 . . . . 0.0 109.296 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.837 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -64.71 -44.12 91.26 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 113.623 -1.626 . . . . 0.0 111.88 -178.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.25 76.86 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 125.01 1.444 . . . . 0.0 109.531 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -56.2 -37.18 69.28 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 118.762 -1.175 . . . . 0.0 112.67 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -60.61 -50.08 74.94 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 121.707 0.765 . . . . 0.0 111.144 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -73.4 -29.38 62.56 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.76 -1.564 . . . . 0.0 111.713 -170.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.612 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -88.49 -23.85 23.12 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 125.142 1.526 . . . . 0.0 109.799 -175.594 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m -75.26 -32.35 61.04 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 113.453 -1.703 . . . . 0.0 111.171 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -108.92 104.68 13.97 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 125.173 1.546 . . . . 0.0 107.778 -175.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.4 131.43 35.6 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 113.977 -1.465 . . . . 0.0 108.576 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -174.94 89.05 0.05 OUTLIER 'General case' 0 C--N 1.352 0.68 0 O-C-N 125.137 1.523 . . . . 0.0 108.411 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -154.84 -59.72 0.11 Allowed 'General case' 0 C--N 1.352 0.679 0 C-N-CA 118.921 -1.111 . . . . 0.0 110.145 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 p30 44.54 34.28 1.08 Allowed 'General case' 0 C--N 1.364 1.221 0 O-C-N 125.49 1.744 . . . . 0.0 113.825 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.893 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.652 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.222 -0.354 0 CA-C-O 121.369 0.604 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -117.09 -7.78 11.27 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 113.357 -1.747 . . . . 0.0 112.073 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.494 ' HA ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -56.69 -18.28 11.79 Favored 'General case' 0 C--N 1.357 0.926 0 O-C-N 125.584 1.802 . . . . 0.0 113.907 176.658 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.3 -42.17 75.8 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 124.753 1.283 . . . . 0.0 111.915 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.424 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -76.28 -16.49 59.78 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 112.981 -1.918 . . . . 0.0 110.187 176.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.765 ' CD1' HD11 ' A' ' 20' ' ' ILE . 34.1 mt -71.8 -43.46 69.41 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.786 -173.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -69.25 -17.15 63.73 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.947 0.78 . . . . 0.0 112.537 176.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.74 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.86 -56.79 3.75 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.583 1.177 . . . . 0.0 110.165 179.434 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.73 HD11 ' CD1' ' A' ' 23' ' ' TYR . 8.9 mt -49.48 -50.38 41.63 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 126.931 2.092 . . . . 0.0 109.393 174.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.681 ' HD2' HG22 ' A' ' 6' ' ' ILE . 53.9 mtpt -63.88 -35.82 81.92 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.599 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.54 -19.62 65.82 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.69 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.0 mp -77.4 4.87 9.89 Favored 'General case' 0 CA--C 1.56 1.337 0 O-C-N 124.081 0.863 . . . . 0.0 111.803 175.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.68 23.27 9.51 Favored Glycine 0 C--N 1.358 1.765 0 O-C-N 123.807 0.692 . . . . 0.0 112.706 176.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.618 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 7.5 m-30 -107.11 -146.02 0.39 Allowed 'General case' 0 C--N 1.357 0.914 0 O-C-N 125.118 1.128 . . . . 0.0 108.608 -173.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.6 tp10 -161.23 140.55 10.3 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -176.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -44.16 -26.51 0.31 Allowed 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.239 1.816 . . . . 0.0 114.782 -176.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.48 -50.7 8.56 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.732 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.729 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -67.08 -19.24 65.62 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 118.787 -1.165 . . . . 0.0 110.626 177.443 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.829 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -77.67 -58.35 4.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 C-N-CA 126.979 2.112 . . . . 0.0 110.547 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.765 HD11 ' CD1' ' A' ' 6' ' ' ILE . 6.9 mm -59.39 -46.82 92.32 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.534 0 O-C-N 125.567 1.792 . . . . 0.0 110.841 -178.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -68.7 -30.06 68.63 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 125.652 1.845 . . . . 0.0 111.577 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -77.83 -17.85 56.96 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 124.482 1.114 . . . . 0.0 112.608 176.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.73 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -96.82 -28.41 14.26 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 125.219 1.575 . . . . 0.0 108.72 -178.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.93 -38.72 15.34 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 124.036 0.835 . . . . 0.0 110.143 -175.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.47 -26.4 64.55 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 113.655 -1.612 . . . . 0.0 110.57 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -83.47 4.12 29.19 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 114.085 -1.416 . . . . 0.0 113.035 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 60.39 59.47 2.26 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 122.534 1.159 . . . . 0.0 110.827 -175.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt 32.7 56.1 0.41 Allowed 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 112.604 -2.089 . . . . 0.0 113.393 174.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.28 -156.09 0.55 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 113.79 -1.55 . . . . 0.0 107.931 -172.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -128.33 -79.45 0.57 Allowed 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.538 0.524 . . . . 0.0 109.968 -176.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -62.96 -20.32 65.13 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 113.96 -1.473 . . . . 0.0 111.223 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 32' ' ' LEU . 6.2 tp -79.44 -45.49 19.32 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 125.282 1.613 . . . . 0.0 110.092 -177.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.738 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -59.21 -50.96 72.04 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 112.601 -2.091 . . . . 0.0 111.383 176.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.8 -49.69 67.77 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 125.203 1.564 . . . . 0.0 110.169 175.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -54.85 -34.23 62.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 119.188 -1.005 . . . . 0.0 113.307 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -58.89 -57.99 10.62 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 124.698 1.249 . . . . 0.0 109.821 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.829 HD21 ' HA ' ' A' ' 19' ' ' VAL . 2.0 mp -69.16 -31.36 69.95 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.895 1.372 . . . . 0.0 112.437 -169.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.618 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -79.09 -25.63 43.02 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 113.975 -1.466 . . . . 0.0 110.198 -175.215 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.4 t -74.14 -16.62 61.0 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 112.959 -1.928 . . . . 0.0 112.366 177.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -81.12 100.29 8.97 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.516 1.135 . . . . 0.0 108.153 178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -71.01 127.63 33.22 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.226 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 179.98 154.65 0.56 Allowed 'General case' 0 C--N 1.35 0.627 0 O-C-N 125.064 1.477 . . . . 0.0 108.666 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.0 t0 65.61 84.97 0.15 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 112.484 -2.144 . . . . 0.0 110.175 174.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -102.71 66.01 0.93 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-N 113.095 -1.866 . . . . 0.0 108.645 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 . . . . . 0 CA--C 1.554 1.111 0 CA-C-N 113.122 -1.854 . . . . 0.0 112.152 174.258 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 121.777 0.799 . . . . 0.0 109.937 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.404 ' CG ' ' HE2' ' A' ' 28' ' ' LYS . 10.5 mm-40 79.12 -3.12 2.19 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 111.814 -2.448 . . . . 0.0 113.973 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.6 -26.37 0.12 Allowed 'General case' 0 C--N 1.361 1.101 0 C-N-CA 125.725 1.61 . . . . 0.0 115.074 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.81 -51.61 67.56 Favored 'General case' 0 C--O 1.217 -0.613 0 O-C-N 125.08 1.488 . . . . 0.0 112.209 176.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.43 -19.37 60.98 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.194 -1.821 . . . . 0.0 110.326 175.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.583 ' CD1' HD11 ' A' ' 20' ' ' ILE . 18.8 mt -67.84 -41.85 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 118.777 -1.169 . . . . 0.0 112.137 -175.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -71.34 -17.75 62.42 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 119.368 -0.933 . . . . 0.0 111.999 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.758 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.45 -55.84 4.43 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 124.82 1.325 . . . . 0.0 110.124 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.751 HD11 ' CD1' ' A' ' 23' ' ' TYR . 12.0 mt -48.23 -50.23 30.23 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.407 2.283 . . . . 0.0 108.985 174.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.494 ' HG3' HG21 ' A' ' 19' ' ' VAL . 31.7 mtpt -65.9 -35.79 81.6 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.763 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.5 -19.32 65.76 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 114.501 -1.227 . . . . 0.0 112.878 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.8 mp -75.92 3.3 10.44 Favored 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.144 0.902 . . . . 0.0 111.771 175.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.97 24.18 8.73 Favored Glycine 0 C--N 1.36 1.863 0 O-C-N 123.82 0.7 . . . . 0.0 112.565 176.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.555 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.5 m-30 -109.21 -145.91 0.4 Allowed 'General case' 0 C--N 1.357 0.919 0 O-C-N 125.244 1.203 . . . . 0.0 108.408 -173.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 19' ' ' VAL . 38.6 tt0 -163.46 140.8 7.42 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 124.255 0.972 . . . . 0.0 108.579 -174.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -39.4 -30.03 0.06 Allowed 'General case' 0 CA--C 1.558 1.273 0 C-N-CA 127.73 2.412 . . . . 0.0 114.853 -176.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -51.58 8.43 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.236 -178.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.784 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.33 -22.3 66.27 Favored 'General case' 0 C--N 1.358 0.96 0 O-C-N 124.488 1.118 . . . . 0.0 110.719 178.346 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.71 ' HA ' HD21 ' A' ' 37' ' ' LEU . 4.0 t -73.93 -56.55 8.93 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.725 0 C-N-CA 127.34 2.256 . . . . 0.0 111.062 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.583 HD11 ' CD1' ' A' ' 6' ' ' ILE . 5.2 mm -59.67 -46.74 93.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 125.578 1.798 . . . . 0.0 110.647 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.1 tm0? -70.12 -29.2 66.08 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 125.755 1.91 . . . . 0.0 111.096 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -78.85 -13.15 59.96 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.279 0.987 . . . . 0.0 113.264 175.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.751 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.6 t80 -102.13 -28.87 12.07 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 124.864 1.353 . . . . 0.0 108.92 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.43 -40.29 14.5 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 124.16 0.913 . . . . 0.0 109.937 -174.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.5 -26.35 63.56 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 113.68 -1.6 . . . . 0.0 110.78 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 36' ' ' PHE . 1.3 m -81.87 4.21 23.23 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.773 -1.558 . . . . 0.0 112.915 174.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 58.29 60.93 2.45 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 122.388 1.09 . . . . 0.0 111.087 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HE2' ' CG ' ' A' ' 2' ' ' GLU . 1.3 mmmm 30.37 57.21 0.2 Allowed 'General case' 0 C--N 1.354 0.784 0 C-N-CA 128.174 2.59 . . . . 0.0 113.028 174.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -104.95 -149.15 0.41 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.466 -1.697 . . . . 0.0 107.979 -171.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -135.46 -77.14 0.44 Allowed 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.384 0.612 . . . . 0.0 109.991 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -21.3 65.12 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.544 -1.662 . . . . 0.0 111.335 177.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -80.26 -43.63 21.03 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 125.047 1.467 . . . . 0.0 110.22 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.726 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -61.28 -48.01 83.37 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 112.662 -2.063 . . . . 0.0 111.753 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.38 -47.58 81.3 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 125.324 1.64 . . . . 0.0 109.617 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -57.72 -33.75 68.75 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 118.754 -1.178 . . . . 0.0 112.609 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.45 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 8.0 t80 -60.31 -56.27 23.47 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.398 1.061 . . . . 0.0 109.917 176.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.784 HD23 HD12 ' A' ' 18' ' ' LEU . 1.1 mp -69.0 -29.54 67.76 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 124.917 1.385 . . . . 0.0 112.587 -170.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.579 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -86.69 -25.26 24.88 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.657 -175.403 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.9 t -79.54 -22.81 43.41 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-N 112.952 -1.931 . . . . 0.0 112.132 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -51.52 99.58 0.02 OUTLIER 'General case' 0 C--N 1.354 0.768 0 O-C-N 124.833 1.333 . . . . 0.0 110.974 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -68.33 131.0 44.57 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 112.576 -2.102 . . . . 0.0 108.991 -175.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -175.74 92.55 0.05 Allowed 'General case' 0 C--N 1.352 0.703 0 CA-C-N 113.951 -1.477 . . . . 0.0 108.963 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -178.54 134.43 0.14 Allowed 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.661 1.225 . . . . 0.0 109.098 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.97 92.91 0.07 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.428 -1.26 . . . . 0.0 108.902 177.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? . . . . . 0 C--N 1.354 0.767 0 CA-C-N 113.6 -1.636 . . . . 0.0 110.826 177.801 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 CA--C 1.543 0.674 0 CA-C-O 121.267 0.556 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.418 ' HG2' ' CE ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -174.02 29.81 0.01 OUTLIER 'General case' 0 C--N 1.354 0.785 0 CA-C-N 114.144 -1.389 . . . . 0.0 111.155 -178.223 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HA ' HG12 ' A' ' 6' ' ' ILE . 10.2 ptmm? -61.2 -20.84 63.25 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 124.608 1.193 . . . . 0.0 113.656 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -35.78 78.42 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 113.996 -1.456 . . . . 0.0 111.377 177.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.415 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -75.31 -15.74 60.47 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 112.942 -1.935 . . . . 0.0 110.845 175.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' A' ' 3' ' ' LYS . 23.5 mm -72.92 -27.93 25.81 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 C-N-CA 118.545 -1.262 . . . . 0.0 112.01 -176.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.98 -14.97 45.84 Favored 'General case' 0 C--O 1.219 -0.504 0 C-N-CA 119.667 -0.813 . . . . 0.0 111.932 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.782 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -86.3 -54.69 4.29 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 125.016 1.447 . . . . 0.0 110.121 -177.653 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.754 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.7 mt -52.76 -50.17 64.05 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 126.134 2.146 . . . . 0.0 109.324 174.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.1 mtmt -63.5 -34.18 77.22 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 176.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.16 -19.68 65.91 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 124.688 1.243 . . . . 0.0 112.719 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 8' ' ' ARG . 1.8 mp -77.23 4.96 9.34 Favored 'General case' 0 CA--C 1.557 1.25 0 O-C-N 124.161 0.913 . . . . 0.0 111.97 175.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.95 13.94 24.11 Favored Glycine 0 C--N 1.359 1.844 0 O-C-N 124.039 0.837 . . . . 0.0 112.836 177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 6.0 m-30 -99.46 -147.48 0.34 Allowed 'General case' 0 C--N 1.353 0.723 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -171.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 19' ' ' VAL . 9.1 tp10 -160.01 140.32 11.77 Favored 'General case' 0 C--N 1.347 0.473 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -176.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -43.38 -25.37 0.14 Allowed 'General case' 0 CA--C 1.555 1.147 0 O-C-N 125.962 2.039 . . . . 0.0 114.492 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.84 -53.15 6.73 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.04 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.725 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -67.22 -19.16 65.5 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 124.564 1.165 . . . . 0.0 111.492 178.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.719 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.3 t -77.6 -56.86 6.71 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 C-N-CA 128.277 2.631 . . . . 0.0 110.613 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.3 mm -58.01 -51.85 65.64 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 O-C-N 125.071 1.482 . . . . 0.0 109.806 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -66.24 -25.55 66.95 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 125.852 1.97 . . . . 0.0 112.415 178.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -80.93 -17.16 51.46 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 176.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.754 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -101.69 -22.27 14.47 Favored 'General case' 0 C--O 1.214 -0.803 0 O-C-N 124.929 1.393 . . . . 0.0 109.421 -178.5 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -93.24 -38.25 11.63 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 123.87 0.731 . . . . 0.0 109.899 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.49 -26.48 63.63 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 124.913 1.383 . . . . 0.0 111.031 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -82.97 4.3 26.46 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.435 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 56.77 59.0 3.73 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 122.015 0.912 . . . . 0.0 111.696 -175.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' CE ' ' HG2' ' A' ' 2' ' ' GLU . 1.3 mmmm 30.86 51.21 0.11 Allowed 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 112.593 -2.094 . . . . 0.0 113.445 173.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.59 -26.69 15.67 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 113.302 -1.772 . . . . 0.0 111.334 -169.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 89.83 -67.7 0.01 OUTLIER 'General case' 0 C--N 1.353 0.735 0 O-C-N 125.569 1.793 . . . . 0.0 111.696 173.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -22.93 67.09 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.035 -1.893 . . . . 0.0 110.987 177.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -33.57 18.43 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 125.03 1.456 . . . . 0.0 109.434 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.848 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -64.43 -43.59 93.85 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 113.602 -1.635 . . . . 0.0 111.627 -178.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.93 -47.29 80.98 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 113.965 -1.47 . . . . 0.0 109.83 173.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -56.99 -35.23 68.95 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 118.637 -1.225 . . . . 0.0 112.834 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -62.0 -51.83 66.47 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 124.044 0.84 . . . . 0.0 110.871 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.848 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -72.66 -29.07 63.12 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 113.496 -1.684 . . . . 0.0 111.937 -170.411 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -87.88 -25.54 23.21 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.112 -1.404 . . . . 0.0 110.496 -175.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.8 t -78.49 -15.37 58.69 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 113.076 -1.874 . . . . 0.0 111.164 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -75.37 -169.19 0.94 Allowed 'General case' 0 C--N 1.358 0.941 0 O-C-N 124.845 1.34 . . . . 0.0 109.916 177.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -108.49 124.47 50.48 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 113.516 -1.675 . . . . 0.0 107.51 -176.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.4 t80 174.05 158.63 0.15 Allowed 'General case' 0 CA--C 1.546 0.81 0 O-C-N 125.647 1.842 . . . . 0.0 108.349 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -90.36 77.92 6.52 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.73 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -83.5 6.04 21.82 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 114.585 -1.189 . . . . 0.0 112.857 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--N 1.356 0.886 0 O-C-N 125.013 1.446 . . . . 0.0 108.26 -175.275 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 . . . . . 0 C--O 1.223 -0.33 0 CA-C-O 121.885 0.85 . . . . 0.0 108.852 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 84.2 -12.69 0.77 Allowed 'General case' 0 C--N 1.349 0.553 0 CA-C-N 112.442 -2.163 . . . . 0.0 113.288 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -20.61 3.29 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 125.537 1.773 . . . . 0.0 114.245 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -45.58 78.16 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 113.796 -1.547 . . . . 0.0 111.034 -178.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.16 -20.03 57.93 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 112.458 -2.156 . . . . 0.0 110.331 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.711 HG23 HG11 ' A' ' 19' ' ' VAL . 34.8 mt -67.8 -41.93 85.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 C-N-CA 118.415 -1.314 . . . . 0.0 111.087 -174.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.96 -17.67 62.65 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 119.865 -0.734 . . . . 0.0 112.868 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.734 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.96 -55.66 4.45 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.606 1.191 . . . . 0.0 110.053 -178.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.762 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.1 mt -50.0 -49.66 49.91 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.376 2.27 . . . . 0.0 109.107 174.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.571 ' HG3' HG21 ' A' ' 19' ' ' VAL . 53.0 mtpt -64.42 -35.2 80.14 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.742 177.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.77 -19.23 65.71 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 114.348 -1.296 . . . . 0.0 112.809 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.1 mp -77.89 5.11 10.33 Favored 'General case' 0 CA--C 1.562 1.408 0 O-C-N 124.143 0.902 . . . . 0.0 111.83 175.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.17 24.99 8.57 Favored Glycine 0 C--N 1.359 1.858 0 O-C-N 123.646 0.591 . . . . 0.0 112.868 175.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.558 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.0 m-30 -109.46 -145.98 0.4 Allowed 'General case' 0 C--N 1.357 0.904 0 O-C-N 125.019 1.07 . . . . 0.0 108.584 -173.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 19' ' ' VAL . 5.8 tt0 -162.61 141.21 8.76 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 124.209 0.943 . . . . 0.0 108.872 -175.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -45.49 -25.78 0.48 Allowed 'General case' 0 CA--C 1.555 1.152 0 O-C-N 125.687 1.867 . . . . 0.0 114.619 -172.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -78.68 -53.52 7.06 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.917 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.735 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.84 -21.89 66.01 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 124.413 1.071 . . . . 0.0 111.443 -179.597 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.813 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.6 t -72.12 -57.92 6.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 C-N-CA 127.828 2.451 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.1 mt -56.61 -51.68 62.93 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 O-C-N 125.381 1.676 . . . . 0.0 110.288 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -65.4 -25.76 67.69 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 125.529 1.768 . . . . 0.0 112.312 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -81.47 -15.5 54.83 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 124.418 1.074 . . . . 0.0 112.517 177.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.762 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.5 t80 -103.21 -29.01 11.56 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 125.001 1.438 . . . . 0.0 109.5 -178.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.91 -42.57 12.41 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 124.799 1.312 . . . . 0.0 109.526 -172.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.88 -25.85 62.98 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 113.392 -1.731 . . . . 0.0 110.535 175.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.427 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -78.15 -0.93 30.22 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 113.569 -1.651 . . . . 0.0 113.26 174.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 63.12 61.06 1.12 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-O 122.051 0.929 . . . . 0.0 110.817 -176.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.04 42.67 0.71 Allowed 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 112.903 -1.953 . . . . 0.0 113.504 174.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.437 ' O ' ' CZ ' ' A' ' 23' ' ' TYR . 1.4 t-20 -92.35 -151.99 0.3 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 113.107 -1.86 . . . . 0.0 107.818 -172.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -142.86 -70.78 0.32 Allowed 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 118.888 0.767 . . . . 0.0 109.254 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.36 -23.67 67.51 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 113.088 -1.869 . . . . 0.0 110.927 178.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.4 -43.26 33.25 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 125.154 1.533 . . . . 0.0 108.942 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.76 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -63.43 -45.35 91.32 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 113.025 -1.898 . . . . 0.0 111.656 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.42 72.48 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 125.496 1.747 . . . . 0.0 109.474 172.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -35.61 65.77 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 118.869 -1.133 . . . . 0.0 112.518 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.91 -53.83 48.05 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 123.995 0.809 . . . . 0.0 109.958 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.813 HD21 ' HA ' ' A' ' 19' ' ' VAL . 1.2 mp -75.6 -14.24 60.37 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 114.031 -1.44 . . . . 0.0 112.563 -171.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.558 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -95.13 -25.79 16.28 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 124.186 0.929 . . . . 0.0 108.572 178.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -104.47 22.65 14.56 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 112.772 -2.013 . . . . 0.0 111.96 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -36.64 102.23 0.02 OUTLIER 'General case' 0 C--N 1.364 1.201 0 O-C-N 125.132 1.52 . . . . 0.0 111.692 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -60.39 131.66 51.46 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 112.947 -1.933 . . . . 0.0 109.966 -173.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -169.81 60.27 0.04 OUTLIER 'General case' 0 C--N 1.35 0.615 0 CA-C-N 113.078 -1.874 . . . . 0.0 108.296 -172.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -164.06 -160.94 0.58 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.263 177.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.59 49.87 0.98 Allowed 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.403 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 . . . . . 0 C--N 1.354 0.802 0 CA-C-N 113.94 -1.482 . . . . 0.0 110.876 176.921 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 121.461 0.648 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -123.12 -2.19 8.66 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 113.26 -1.791 . . . . 0.0 111.951 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.75 -23.84 3.0 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 125.146 1.529 . . . . 0.0 114.152 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.88 -49.83 73.27 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 124.866 1.354 . . . . 0.0 111.824 175.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.421 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -71.63 -17.97 62.23 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 113.219 -1.809 . . . . 0.0 110.566 177.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.559 HG23 HG11 ' A' ' 19' ' ' VAL . 34.7 mt -65.47 -45.56 92.5 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.51 0 C-N-CA 119.511 -0.875 . . . . 0.0 111.71 -175.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.7 -18.64 63.55 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 124.807 1.317 . . . . 0.0 111.903 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.797 ' O ' HD12 ' A' ' 12' ' ' LEU . 1.1 ttm180 -79.98 -53.34 6.82 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 125.103 1.502 . . . . 0.0 110.226 -177.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.7 mt -52.6 -45.19 66.44 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 126.465 2.353 . . . . 0.0 108.411 173.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -34.97 78.12 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.951 -1.022 . . . . 0.0 112.802 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.29 -18.04 65.03 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 124.881 1.363 . . . . 0.0 112.78 -178.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.3 mp -77.06 4.07 10.99 Favored 'General case' 0 CA--C 1.559 1.314 0 O-C-N 124.262 0.976 . . . . 0.0 111.879 175.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.38 25.14 8.96 Favored Glycine 0 C--N 1.358 1.803 0 O-C-N 124.03 0.831 . . . . 0.0 112.946 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.601 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.4 m-30 -108.58 -143.14 0.38 Allowed 'General case' 0 C--N 1.358 0.978 0 O-C-N 125.067 1.098 . . . . 0.0 109.291 -172.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.4 tt0 -158.32 136.61 10.86 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 124.18 0.925 . . . . 0.0 108.658 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -43.78 -25.25 0.17 Allowed 'General case' 0 CA--C 1.557 1.225 0 O-C-N 125.704 1.877 . . . . 0.0 114.034 -176.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.0 m -79.13 -52.77 7.74 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.796 0.685 . . . . 0.0 111.664 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.722 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.57 -20.11 65.94 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 118.775 -1.17 . . . . 0.0 110.886 176.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.76 ' HA ' HD21 ' A' ' 37' ' ' LEU . 4.4 t -73.51 -54.49 15.26 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.653 0 C-N-CA 126.785 2.034 . . . . 0.0 110.481 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.5 mt -60.42 -54.2 38.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 O-C-N 125.619 1.825 . . . . 0.0 109.679 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -17.87 61.76 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 125.23 1.581 . . . . 0.0 112.836 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -91.5 -15.65 28.44 Favored 'General case' 0 C--N 1.354 0.766 0 O-C-N 124.426 1.079 . . . . 0.0 113.126 176.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.808 ' CD1' HD11 ' A' ' 9' ' ' LEU . 2.1 t80 -111.09 -6.54 14.6 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 125.268 1.605 . . . . 0.0 110.404 -178.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -106.24 -41.56 5.3 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.52 -27.36 63.14 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 113.077 -1.874 . . . . 0.0 110.867 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.47 ' SG ' HD13 ' A' ' 32' ' ' LEU . 1.4 m -82.6 4.36 25.03 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.532 -1.667 . . . . 0.0 112.428 174.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 56.53 60.9 2.88 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 121.482 0.658 . . . . 0.0 111.418 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.36 57.88 0.66 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 113.321 -1.763 . . . . 0.0 113.045 173.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.46 -160.26 0.77 Allowed 'General case' 0 C--N 1.352 0.693 0 CA-C-N 113.039 -1.891 . . . . 0.0 107.978 -176.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -125.37 -76.36 0.59 Allowed 'General case' 0 C--O 1.219 -0.522 0 O-C-N 123.83 0.706 . . . . 0.0 110.225 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.77 -22.22 63.85 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 113.109 -1.859 . . . . 0.0 111.152 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.47 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.54 -45.86 24.13 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 125.363 1.664 . . . . 0.0 109.618 -177.625 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.803 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -65.65 -44.56 85.96 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 113.351 -1.749 . . . . 0.0 111.499 -176.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.13 78.01 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 125.317 1.636 . . . . 0.0 110.025 173.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.99 -33.78 69.28 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 117.967 -1.493 . . . . 0.0 112.721 179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.08 -51.62 65.91 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.803 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -73.16 -29.63 63.0 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 113.661 -1.609 . . . . 0.0 112.049 -170.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.601 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -85.22 -25.65 27.2 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.055 -175.768 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.1 t -76.36 -28.23 56.72 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 113.249 -1.796 . . . . 0.0 111.63 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -84.61 73.85 10.5 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 125.345 1.653 . . . . 0.0 109.605 176.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -45.06 127.13 6.48 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 113.392 -1.731 . . . . 0.0 111.827 173.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -177.12 146.74 0.52 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-N 112.279 -2.237 . . . . 0.0 109.065 -173.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -109.43 145.37 36.27 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 113.402 -1.726 . . . . 0.0 108.646 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.56 -54.22 5.06 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 124.8 1.313 . . . . 0.0 112.88 -178.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.355 0.834 0 O-C-N 125.333 1.646 . . . . 0.0 110.342 177.889 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 122.302 1.048 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.3 pm0 -101.55 9.14 41.54 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 113.11 -1.859 . . . . 0.0 111.136 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 6' ' ' ILE . 6.1 mttm -66.67 -18.51 65.41 Favored 'General case' 0 C--N 1.361 1.072 0 O-C-N 124.71 1.256 . . . . 0.0 113.034 -173.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.2 -42.09 89.3 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 113.299 -1.773 . . . . 0.0 111.419 177.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.405 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -74.25 -17.96 60.8 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 113.324 -1.762 . . . . 0.0 110.656 175.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.829 HD11 HD11 ' A' ' 20' ' ' ILE . 71.7 mt -67.18 -48.74 77.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 C-N-CA 118.081 -1.448 . . . . 0.0 111.456 -172.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.63 -15.47 63.2 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 125.164 1.54 . . . . 0.0 112.056 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.752 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -79.57 -54.08 6.24 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 124.797 1.31 . . . . 0.0 110.599 178.671 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.696 HD11 ' CD1' ' A' ' 23' ' ' TYR . 9.3 mt -55.94 -44.8 78.73 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 126.272 2.232 . . . . 0.0 108.385 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -34.73 78.97 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 114.579 -1.191 . . . . 0.0 112.618 176.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.2 -18.57 65.31 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 114.563 -1.199 . . . . 0.0 112.72 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.8 mp -78.27 4.85 11.71 Favored 'General case' 0 CA--C 1.559 1.299 0 O-C-N 124.15 0.906 . . . . 0.0 111.771 175.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.19 24.24 9.81 Favored Glycine 0 C--N 1.36 1.881 0 O-C-N 123.782 0.677 . . . . 0.0 113.218 176.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.599 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 9.6 m-30 -106.09 -142.79 0.37 Allowed 'General case' 0 C--N 1.359 1.017 0 O-C-N 124.786 0.933 . . . . 0.0 109.424 -172.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 19' ' ' VAL . 6.9 tp10 -157.18 136.89 12.3 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -47.18 -21.82 0.3 Allowed 'General case' 0 CA--C 1.557 1.23 0 O-C-N 125.376 1.672 . . . . 0.0 114.384 -176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -52.02 7.94 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 123.48 0.488 . . . . 0.0 111.363 177.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.707 ' CD1' HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -67.59 -19.68 65.27 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 124.283 0.989 . . . . 0.0 111.335 177.777 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.719 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.4 t -72.55 -58.34 5.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 O-C-N 125.916 2.01 . . . . 0.0 110.057 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.829 HD11 HD11 ' A' ' 6' ' ' ILE . 5.1 mm -57.6 -50.02 78.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 O-C-N 125.127 1.517 . . . . 0.0 111.485 -178.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -67.26 -28.46 68.05 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 125.513 1.758 . . . . 0.0 111.928 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -79.52 -16.45 55.98 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.406 1.066 . . . . 0.0 112.653 175.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.696 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.3 t80 -98.99 -26.33 14.28 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 125.077 1.486 . . . . 0.0 109.376 -178.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.41 -38.94 12.96 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 124.124 0.89 . . . . 0.0 109.976 -175.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.52 64.53 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.741 176.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.547 ' SG ' HD12 ' A' ' 32' ' ' LEU . 1.2 m -83.15 4.65 25.68 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 113.965 -1.471 . . . . 0.0 112.995 175.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 57.36 59.24 3.42 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 122.375 1.083 . . . . 0.0 111.425 -175.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm 34.18 56.2 0.63 Allowed 'General case' 0 C--N 1.35 0.615 0 CA-C-N 112.124 -2.307 . . . . 0.0 112.676 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -103.03 -144.58 0.36 Allowed 'General case' 0 C--N 1.356 0.851 0 CA-C-N 112.841 -1.981 . . . . 0.0 107.527 -173.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -143.05 -74.73 0.27 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-O 121.436 0.636 . . . . 0.0 109.433 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -22.63 66.21 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.589 -1.642 . . . . 0.0 111.165 177.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD12 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -78.4 -46.31 20.2 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 125.072 1.482 . . . . 0.0 109.55 -178.259 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.794 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -59.76 -47.93 83.7 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.962 -1.926 . . . . 0.0 111.854 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.82 -47.91 79.21 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 124.953 1.408 . . . . 0.0 109.752 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.59 -36.79 69.8 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 117.747 -1.581 . . . . 0.0 112.896 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -60.12 -54.46 45.64 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 123.829 0.705 . . . . 0.0 110.47 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mp -70.8 -26.86 63.51 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 118.677 -1.209 . . . . 0.0 112.225 -169.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.599 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -87.37 -25.83 23.65 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.443 -176.2 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.4 m -75.95 -33.57 59.82 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.101 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.52 99.2 2.45 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 125.03 1.456 . . . . 0.0 108.984 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -59.1 133.36 56.03 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 112.103 -2.317 . . . . 0.0 109.62 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -178.2 130.38 0.13 Allowed 'General case' 0 C--N 1.35 0.629 0 O-C-N 125.752 1.907 . . . . 0.0 108.542 -172.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.7 t70 65.15 13.49 8.76 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 112.772 -2.013 . . . . 0.0 112.477 175.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 172.41 111.27 0.01 OUTLIER 'General case' 0 C--N 1.354 0.786 0 O-C-N 125.29 1.619 . . . . 0.0 107.291 -170.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.554 1.13 0 CA-C-N 113.575 -1.648 . . . . 0.0 111.473 178.224 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 . . . . . 0 C--O 1.22 -0.469 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -139.07 4.73 2.28 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 112.737 -2.029 . . . . 0.0 112.624 -173.485 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.481 ' HA ' HD12 ' A' ' 6' ' ' ILE . 8.8 pttt -56.54 -17.78 9.55 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 125.449 1.718 . . . . 0.0 113.892 176.692 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -39.75 74.4 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.786 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.97 -16.83 59.22 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.013 -1.903 . . . . 0.0 110.377 173.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.808 HD11 HD11 ' A' ' 20' ' ' ILE . 37.1 mt -75.3 -24.53 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 118.838 -1.145 . . . . 0.0 112.025 -172.535 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -88.66 -15.7 34.24 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.22 0.95 . . . . 0.0 110.505 175.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.733 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -84.39 -54.87 4.47 Favored 'General case' 0 C--N 1.356 0.861 0 O-C-N 124.626 1.204 . . . . 0.0 110.378 -179.868 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.728 HD11 ' CD1' ' A' ' 23' ' ' TYR . 10.6 mt -53.44 -49.19 67.88 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 126.348 2.28 . . . . 0.0 108.835 173.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -62.49 -34.85 77.67 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 119.01 -1.076 . . . . 0.0 113.15 174.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.9 -18.98 65.71 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 124.271 0.982 . . . . 0.0 112.877 -175.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.733 HD12 ' O ' ' A' ' 8' ' ' ARG . 2.3 mp -77.61 4.4 11.44 Favored 'General case' 0 CA--C 1.561 1.371 0 O-C-N 124.162 0.914 . . . . 0.0 111.932 175.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.94 27.05 8.06 Favored Glycine 0 C--N 1.359 1.817 0 O-C-N 123.683 0.614 . . . . 0.0 112.8 175.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.605 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 10.2 m-30 -108.42 -145.78 0.4 Allowed 'General case' 0 C--N 1.358 0.938 0 O-C-N 125.095 1.115 . . . . 0.0 108.839 -173.338 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.524 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -158.51 140.89 14.22 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -176.419 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -51.76 -19.06 1.46 Allowed 'General case' 0 CA--C 1.56 1.347 0 O-C-N 125.187 1.554 . . . . 0.0 113.905 -174.183 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -82.11 -52.54 6.9 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 123.405 0.441 . . . . 0.0 110.91 177.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.712 HD12 HD23 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.05 -21.05 66.36 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 118.959 -1.097 . . . . 0.0 110.815 178.098 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.718 ' HA ' HD21 ' A' ' 37' ' ' LEU . 2.4 t -74.07 -59.41 3.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 C-N-CA 127.068 2.147 . . . . 0.0 110.717 -179.385 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.808 HD11 HD11 ' A' ' 6' ' ' ILE . 5.4 mm -56.98 -50.54 75.84 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 125.278 1.611 . . . . 0.0 111.082 -178.053 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -67.42 -25.86 66.13 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 125.88 1.987 . . . . 0.0 112.264 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 18' ' ' LEU . . . -80.75 -15.96 55.11 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 124.39 1.056 . . . . 0.0 112.556 175.106 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.728 ' CD1' HD11 ' A' ' 9' ' ' LEU . 1.5 t80 -104.04 -21.67 13.56 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 125.055 1.472 . . . . 0.0 109.681 -177.474 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.76 -41.35 11.3 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 124.407 1.067 . . . . 0.0 108.817 -177.68 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.13 -25.9 62.78 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-N 113.904 -1.498 . . . . 0.0 111.339 178.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 m -82.61 3.51 28.49 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.947 1.404 . . . . 0.0 112.79 175.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 58.97 60.75 2.34 Favored 'General case' 0 C--N 1.359 0.987 0 CA-C-O 121.939 0.876 . . . . 0.0 110.961 -175.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.93 54.3 0.55 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 113.458 -1.701 . . . . 0.0 114.071 175.704 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -100.65 -145.95 0.34 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 113.345 -1.752 . . . . 0.0 107.543 -174.079 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -145.79 -71.48 0.25 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-O 121.459 0.647 . . . . 0.0 109.647 -175.447 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -23.31 67.38 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 113.7 -1.591 . . . . 0.0 111.093 177.046 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -43.84 19.28 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.849 1.343 . . . . 0.0 109.057 -177.582 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.756 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -58.5 -49.22 78.17 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 112.821 -1.99 . . . . 0.0 111.878 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.65 -49.62 74.5 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 125.008 1.443 . . . . 0.0 109.955 174.553 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -55.97 -32.87 64.27 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 119.022 -1.071 . . . . 0.0 113.406 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -63.52 -55.4 24.26 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 124.262 0.976 . . . . 0.0 110.009 178.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 33' ' ' ALA . 1.1 mt -70.66 -29.95 66.43 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 113.765 -1.561 . . . . 0.0 112.03 -169.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.605 HD22 ' CZ ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -82.83 -27.04 31.12 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 125.133 1.52 . . . . 0.0 110.033 -175.673 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t -73.69 -21.96 60.09 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 113.478 -1.692 . . . . 0.0 111.252 177.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -75.6 103.26 5.63 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.617 1.198 . . . . 0.0 109.081 175.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -55.68 134.82 51.51 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 112.621 -2.081 . . . . 0.0 110.57 178.493 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -177.64 123.96 0.12 Allowed 'General case' 0 CA--C 1.549 0.907 0 O-C-N 125.495 1.747 . . . . 0.0 108.352 -172.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.09 153.38 43.85 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 113.916 -1.493 . . . . 0.0 109.41 178.327 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -133.53 -48.92 0.83 Allowed 'General case' 0 C--N 1.349 0.569 0 O-C-N 124.064 0.853 . . . . 0.0 110.587 -176.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 CA--C 1.551 0.999 0 O-C-N 125.002 1.439 . . . . 0.0 112.589 -176.782 . . . . . . . . 0 0 . 1 stop_ save_